data_2kdp_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 2kdp _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -116.76 164.24 14.94 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.087 0.47 . . . . 0.0 111.84 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 38.2 t -60.32 148.95 35.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.198 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 22.4 p -111.64 38.46 2.61 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.391 -179.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.415 HD11 ' ND1' ' A' ' 115' ' ' HIS . 32.7 mt -131.69 145.84 51.86 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.886 -0.412 . . . . 0.0 109.886 178.705 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 53.7 mtp180 -116.06 112.22 21.45 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.437 -179.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -89.93 90.68 8.27 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 178.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.2 t0 68.27 40.1 2.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.514 -179.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 89.01 -3.95 84.69 Favored Glycine 0 CA--C 1.52 0.369 0 C-N-CA 120.852 -0.69 . . . . 0.0 113.159 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -93.41 122.5 35.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 117.071 0.436 . . . . 0.0 111.343 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.517 ' O ' ' N ' ' A' ' 77' ' ' GLY . 3.6 tpp180 -77.33 57.92 1.57 Allowed 'General case' 0 C--O 1.225 -0.21 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.242 -179.318 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.3 t 41.87 -76.39 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 109.45 -34.08 5.71 Favored Glycine 0 N--CA 1.45 -0.367 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 -178.515 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 39.1 ttt180 -75.44 138.71 41.82 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 178.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.08 167.33 3.05 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.046 0.45 . . . . 0.0 111.9 -178.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -78.57 148.86 33.16 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.527 -179.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -107.03 -149.03 15.46 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.748 -0.739 . . . . 0.0 113.457 -179.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -95.73 -3.54 45.74 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -178.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.404 ' HB1' ' CD ' ' A' ' 116' ' ' LYS . . . -83.28 167.68 17.4 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.899 0.38 . . . . 0.0 111.446 -179.683 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.27 149.14 51.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.594 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -79.86 112.17 16.89 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 178.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 89.5 p -115.21 -168.21 1.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.19 0.519 . . . . 0.0 111.611 -178.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.9 -44.32 22.95 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.617 179.616 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.24 -42.83 70.33 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.476 179.326 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 39.9 mt -65.17 -41.23 91.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.133 179.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.55 -51.82 68.2 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-O 121.483 0.658 . . . . 0.0 109.447 178.606 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.91 -44.5 86.87 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 114.857 -1.065 . . . . 0.0 110.073 179.191 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 31.7 t -56.19 -45.97 79.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.015 178.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.02 -49.51 84.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.318 179.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.74 -45.13 58.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.181 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.89 -47.44 84.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.837 0.351 . . . . 0.0 110.114 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.3 mtpm? -61.33 -34.77 75.8 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 178.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.5 mmtp 60.84 74.61 0.44 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.496 -0.774 . . . . 0.0 109.657 -178.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 16.3 m -129.68 174.21 12.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.242 -179.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 45.1 mttm -88.48 63.16 6.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.531 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 32.5 mt -133.41 109.66 13.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.172 179.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -131.98 154.48 49.28 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.829 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 16.9 tp -69.57 142.99 53.47 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.342 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -91.32 125.61 36.14 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 177.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 7.7 mtmt -85.74 -12.68 50.46 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -178.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.2 p -76.35 -3.69 38.19 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.212 179.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -85.07 175.37 9.06 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 121.157 0.503 . . . . 0.0 112.04 -179.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -126.11 -15.28 5.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.676 179.431 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 29.9 p80 -118.61 166.37 12.82 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.211 0.529 . . . . 0.0 111.667 -178.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 62.2 mt -122.95 77.65 1.47 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.739 178.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -143.85 120.4 11.06 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.176 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 35.6 pt -100.15 170.95 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 16.4 p -84.59 164.12 18.89 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.473 179.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -64.1 -34.0 77.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.138 0.494 . . . . 0.0 110.335 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -54.51 -61.19 2.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.318 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . 0.415 ' ND1' HD11 ' A' ' 69' ' ' LEU . 23.6 m170 -64.1 -34.23 77.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.778 -179.325 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.404 ' CD ' ' HB1' ' A' ' 83' ' ' ALA . 14.8 ttpp -58.98 -53.94 52.78 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.058 0.456 . . . . 0.0 110.553 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -63.45 -46.32 86.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.92 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 4.3 tt -56.44 -45.29 80.86 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.011 -178.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 81.2 mt -77.24 -38.57 27.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -178.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -70.07 -38.39 75.72 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 -178.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.327 -0.376 0 N-CA-C 114.802 1.408 . . . . 0.0 114.802 -175.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.165 0 CA-C-O 121.041 0.448 . . . . 0.0 111.214 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 14.0 mt -124.3 146.65 48.66 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.351 179.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.429 ' O ' ' NH2' ' A' ' 75' ' ' ARG . 51.5 t -46.92 158.42 0.13 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.935 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 28.4 p -122.71 31.95 5.9 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -179.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 75.3 mt -122.43 163.26 20.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.78 0.324 . . . . 0.0 110.196 178.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 28.7 mtp180 -117.17 148.28 41.72 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.706 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -118.42 100.95 7.8 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.951 179.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 59.15 42.38 18.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.457 -179.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 84.36 -9.12 65.23 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.938 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -106.01 122.15 45.57 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-O 121.171 0.51 . . . . 0.0 111.246 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.429 ' NH2' ' O ' ' A' ' 67' ' ' CYS . 15.0 tpt180 -53.86 141.61 26.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.515 -0.766 . . . . 0.0 112.495 -179.072 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 34.7 t -58.0 -72.65 0.09 Allowed 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.728 178.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 95.45 -22.53 38.35 Favored Glycine 0 C--N 1.331 0.296 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.936 179.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 50.1 ttt85 -66.53 140.27 57.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.802 0.334 . . . . 0.0 110.618 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -50.08 150.77 2.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.589 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.78 152.34 44.71 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.211 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -100.85 -131.58 7.45 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.536 -0.84 . . . . 0.0 113.761 -178.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -119.21 7.2 11.26 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -178.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -115.34 173.87 6.29 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.038 0.447 . . . . 0.0 111.504 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.7 m -133.13 160.37 37.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.572 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -75.08 142.75 43.67 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.659 -0.496 . . . . 0.0 109.659 178.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 60.6 p -149.27 -164.47 2.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.024 0.44 . . . . 0.0 111.457 -179.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.14 -44.44 25.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.322 179.184 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.81 -41.79 64.5 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.503 -0.772 . . . . 0.0 110.723 179.665 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 20.6 mt -69.0 -41.88 81.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.978 179.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -57.58 -44.66 85.49 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-O 121.649 0.737 . . . . 0.0 109.155 178.241 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.8 mmtp -65.49 -42.49 92.08 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 114.479 -1.237 . . . . 0.0 110.131 179.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 59.1 m -60.99 -44.64 97.1 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.382 179.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 95.3 mt -63.88 -41.83 93.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.063 0.458 . . . . 0.0 109.827 178.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 20.6 t -55.34 -43.78 75.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.274 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -67.51 -25.31 65.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.86 0.362 . . . . 0.0 110.364 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 27.0 mttp -84.89 -38.44 19.41 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.069 178.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 33.4 mmtm 63.78 61.58 0.97 Allowed 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.55 -178.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 34.7 m -112.84 168.63 5.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.17 -179.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 53.4 mttm -88.35 43.57 1.14 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.591 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 29.6 mt -116.93 100.01 9.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.959 0.409 . . . . 0.0 109.929 178.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -118.66 167.93 11.19 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.722 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.1 tt -87.1 117.54 25.9 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.912 -179.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -63.23 140.88 58.92 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 177.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 22.7 mttm -99.72 13.41 33.74 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.963 -179.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 8.4 t -91.64 -16.71 26.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.679 0.276 . . . . 0.0 110.943 179.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -78.71 160.64 27.37 Favored 'General case' 0 N--CA 1.457 -0.121 0 CA-C-O 121.101 0.476 . . . . 0.0 112.028 -179.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 36.3 mtp180 -109.67 -3.15 17.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.503 -0.772 . . . . 0.0 111.103 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . 0.403 ' HB2' ' CE1' ' A' ' 110' ' ' TYR . 12.9 p80 -131.35 166.59 20.91 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.068 0.461 . . . . 0.0 111.574 -178.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 70.2 mt -120.11 85.33 2.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.052 178.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.403 ' CE1' ' HB2' ' A' ' 108' ' ' HIS . 85.1 m-85 -142.87 130.59 21.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.312 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 34.1 pt -111.42 167.78 5.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.949 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 25.5 p -90.45 164.38 14.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.598 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -62.29 -29.27 70.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.082 0.467 . . . . 0.0 110.295 179.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -56.88 -61.91 2.11 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.353 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 30.8 m170 -71.62 -30.62 65.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.644 -179.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 10.4 ttpp -59.13 -53.32 59.68 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.11 0.481 . . . . 0.0 110.397 179.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -67.63 -40.23 84.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.025 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 6.2 tt -62.05 -37.73 86.08 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.03 -179.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 84.5 mt -85.69 -41.34 15.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 -178.009 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -63.65 -46.15 86.95 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 -177.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 56.1 p . . . . . 0 C--N 1.326 -0.424 0 N-CA-C 114.502 1.297 . . . . 0.0 114.502 -175.01 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.406 ' O ' ' HA ' ' A' ' 79' ' ' ALA . 0.0 OUTLIER . . . . . 0 CA--C 1.523 -0.089 0 CA-C-O 120.845 0.355 . . . . 0.0 111.112 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 26.9 mt -106.91 150.76 26.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.778 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 42.8 t -55.06 160.61 1.99 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.817 179.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 17.3 p -120.41 26.14 9.37 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.684 0.278 . . . . 0.0 111.722 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 64.7 mt -111.59 164.78 12.62 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 178.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 21.6 mtp85 -134.51 129.84 35.73 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.837 0.351 . . . . 0.0 110.875 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -105.41 107.51 18.53 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.945 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 59.16 50.81 7.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.676 -179.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 66.14 9.6 48.77 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.837 -0.697 . . . . 0.0 113.033 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -112.79 125.03 53.89 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 121.011 0.434 . . . . 0.0 110.769 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.35 133.15 55.52 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.76 -0.654 . . . . 0.0 112.065 -178.798 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 42.4 t -56.84 -53.5 57.19 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.763 179.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 73.56 -11.77 5.24 Favored Glycine 0 CA--C 1.521 0.41 0 CA-C-N 115.944 -0.571 . . . . 0.0 113.618 179.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 38.2 ttt85 -73.05 143.23 47.56 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 117.114 0.457 . . . . 0.0 109.955 -179.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.406 ' HA ' ' O ' ' A' ' 65' ' ' GLN . . . -53.1 148.24 8.43 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.588 -179.43 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.63 157.13 35.9 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.867 178.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -114.35 -135.26 5.97 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.157 -1.021 . . . . 0.0 113.947 -178.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -111.81 15.34 20.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.463 -0.369 . . . . 0.0 111.785 -178.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -106.75 176.42 5.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.024 0.44 . . . . 0.0 111.597 -179.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 48.2 m -145.97 141.21 27.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.839 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -66.48 113.54 4.79 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.728 179.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 97.8 p -118.93 -172.23 2.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.991 0.424 . . . . 0.0 111.612 -179.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.67 -41.59 45.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.502 179.032 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -57.06 -50.7 71.95 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.106 179.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.402 HG21 HG21 ' A' ' 119' ' ' ILE . 63.2 mt -58.76 -40.92 81.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.832 179.078 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 18.7 tm0? -56.36 -46.56 79.94 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 121.548 0.689 . . . . 0.0 109.25 178.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp -63.8 -45.58 89.0 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 114.73 -1.123 . . . . 0.0 110.113 179.155 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 41.6 m -56.91 -36.96 70.78 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.277 179.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 93.9 mt -70.9 -48.1 58.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.215 179.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 32.6 t -52.17 -39.39 60.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.059 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -68.61 -41.74 79.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.09 0.472 . . . . 0.0 109.881 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 97' ' ' LYS . 61.0 mttp -60.06 -40.0 87.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.583 179.192 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 96' ' ' LYS . 1.8 mmtm 68.0 58.91 0.46 Allowed 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.326 -178.053 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 31.1 m -115.59 170.61 5.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.602 -179.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.0 mmtm -91.64 40.9 1.05 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.711 -179.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 31.0 mt -113.71 118.61 58.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.921 0.391 . . . . 0.0 110.16 178.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -134.91 173.04 12.16 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.414 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.409 ' HG ' ' N ' ' A' ' 103' ' ' ASP . 1.2 tp -88.7 136.02 33.21 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.38 0.61 . . . . 0.0 112.118 -179.523 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.409 ' N ' ' HG ' ' A' ' 102' ' ' LEU . 23.9 t0 -80.16 135.73 36.36 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 177.336 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 16.4 mttm -93.07 -22.47 19.1 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.35 -179.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 34.4 t -73.95 -4.37 34.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.581 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.92 -165.91 0.02 OUTLIER 'General case' 0 CA--C 1.522 -0.104 0 CA-C-O 121.241 0.543 . . . . 0.0 111.69 -179.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.8 ttp180 -128.82 -35.31 1.89 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.379 -179.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 14.6 p80 -132.34 174.71 9.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.114 0.483 . . . . 0.0 111.724 -178.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 32.3 mt -110.86 73.32 0.82 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.476 179.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -133.4 120.89 21.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.237 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 34.1 pt -100.14 160.02 3.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.986 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 7.6 p -76.0 160.19 30.09 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.501 179.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -62.63 -33.72 75.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.085 0.469 . . . . 0.0 110.435 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -53.51 -61.57 2.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.213 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 19.5 m170 -64.29 -31.08 72.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.577 -179.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 11.9 ttpp -62.52 -52.96 61.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.947 0.403 . . . . 0.0 110.479 179.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -64.99 -30.19 71.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.0 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 5.2 tt -74.72 -42.67 57.89 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.747 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.431 HD11 HG21 ' A' ' 119' ' ' ILE . 82.4 mt -79.11 -37.21 19.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 113.275 0.842 . . . . 0.0 113.275 -177.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -71.37 -28.4 64.01 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 -178.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 59.4 p . . . . . 0 N--CA 1.466 0.368 0 N-CA-C 114.478 1.288 . . . . 0.0 114.478 -176.263 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -111.51 154.76 24.29 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.099 0.476 . . . . 0.0 111.655 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 44.8 t -48.33 143.44 4.72 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.122 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 23.6 p -104.97 33.13 3.77 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.922 0.391 . . . . 0.0 111.399 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 35.6 mt -129.79 149.56 51.47 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.678 178.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 64.2 mtp180 -115.06 114.13 24.96 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.77 0.319 . . . . 0.0 111.072 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 77.3 tt0 -91.47 106.09 18.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.106 179.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 57.98 43.46 21.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.923 -179.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 87.02 -22.84 12.52 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.766 -0.731 . . . . 0.0 113.302 179.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -83.6 130.24 34.98 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 117.259 0.53 . . . . 0.0 111.542 -179.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 77' ' ' GLY . 10.3 tpp180 -74.68 60.42 0.91 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.083 -179.398 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 7.0 t 44.61 -82.94 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 179.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 115.37 -31.97 5.95 Favored Glycine 0 C--N 1.332 0.319 0 C-N-CA 120.616 -0.802 . . . . 0.0 111.829 -178.668 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 62.2 ttt-85 -76.09 144.53 40.65 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 179.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.4 151.27 45.37 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.012 0.434 . . . . 0.0 111.734 -178.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.56 159.13 19.38 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.675 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -125.28 -136.5 4.55 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.178 -1.01 . . . . 0.0 114.068 -178.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -97.93 -15.8 19.99 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -178.154 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -79.99 169.82 17.33 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.854 0.359 . . . . 0.0 111.446 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.1 p -134.33 -166.62 1.83 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.191 179.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -121.31 131.97 54.51 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.837 179.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 47.4 p -136.54 -168.21 2.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.18 0.514 . . . . 0.0 111.611 -179.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.89 -44.4 40.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.245 179.453 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? -52.23 -47.0 65.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.208 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 29.7 mt -66.78 -33.55 64.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.348 179.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -63.08 -42.38 99.61 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-O 121.344 0.593 . . . . 0.0 109.64 178.776 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.16 -33.6 67.85 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.831 179.42 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 19.8 m -63.41 -34.99 78.95 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.687 178.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 71.6 mt -78.21 -45.37 26.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.921 178.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 38.9 t -52.14 -43.35 63.98 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.094 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 30.9 tp60 -69.84 -36.53 75.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.89 0.376 . . . . 0.0 110.154 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.424 ' HE2' ' HA ' ' A' ' 119' ' ' ILE . 41.3 mttp -66.57 -46.22 76.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.233 178.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 6.5 mmtp 67.88 75.73 0.28 Allowed 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.703 -178.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 35.5 m -130.22 166.59 27.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.957 -179.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 20.6 mttp -80.59 68.95 6.99 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.96 0.409 . . . . 0.0 111.422 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 68.4 mt -137.31 109.14 6.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.379 179.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.05 151.72 41.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.853 0.359 . . . . 0.0 110.497 179.473 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.49 127.81 32.69 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.129 0.49 . . . . 0.0 112.258 -179.008 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -64.55 145.41 56.18 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 177.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 22.1 mmtm -98.43 -41.07 7.97 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.853 0.359 . . . . 0.0 111.073 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 76.5 p -54.65 -29.86 53.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.075 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -47.79 152.99 0.66 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.699 -179.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -120.66 24.92 10.04 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.267 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 12.8 p80 -165.98 156.88 13.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.283 -178.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 95.8 mt -116.81 73.1 0.85 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.46 179.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -132.24 109.4 9.89 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.954 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 49.2 pt -92.18 164.19 2.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.911 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 7.3 p -84.02 161.4 20.74 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.474 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.47 -35.55 76.16 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.994 0.426 . . . . 0.0 110.547 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 56.4 t80 -49.81 -62.37 1.6 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.773 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 18.7 m80 -64.49 -28.81 69.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.514 -179.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 7.9 ttpp -61.8 -54.35 43.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.946 0.403 . . . . 0.0 110.444 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -66.4 -42.09 88.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.794 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 4.5 tt -60.94 -41.72 96.81 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.709 -179.089 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.424 ' HA ' ' HE2' ' A' ' 96' ' ' LYS . 78.8 mt -82.0 -52.72 13.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 -178.046 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -57.35 -26.17 60.57 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.252 0.834 . . . . 0.0 113.252 -178.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 4.9 m . . . . . 0 N--CA 1.451 -0.384 0 N-CA-C 114.824 1.416 . . . . 0.0 114.824 -176.597 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.917 0.389 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.2 mp -120.25 149.06 42.89 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.618 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.429 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 53.9 t -54.31 151.63 7.23 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.217 -179.512 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 71.7 m -121.26 30.78 6.63 Favored 'General case' 0 CA--C 1.529 0.156 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -178.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 73.7 mt -114.18 155.38 26.19 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 178.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.426 ' O ' ' HA ' ' A' ' 100' ' ' ILE . 7.2 mtp180 -125.35 140.62 52.65 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.758 0.313 . . . . 0.0 110.848 -179.599 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.406 ' HG2' ' OD1' ' A' ' 72' ' ' ASP . 17.8 tt0 -116.53 110.05 18.06 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.025 179.476 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.406 ' OD1' ' HG2' ' A' ' 71' ' ' GLU . 4.4 m-20 64.11 35.54 10.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.005 0.431 . . . . 0.0 110.282 -179.128 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 83.42 -5.29 78.27 Favored Glycine 0 CA--C 1.52 0.404 0 C-N-CA 120.892 -0.671 . . . . 0.0 112.903 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -104.36 133.89 48.5 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-O 120.957 0.408 . . . . 0.0 111.225 -179.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.48 173.55 0.38 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.082 -179.426 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . 0.429 ' HB3' ' HB3' ' A' ' 67' ' ' CYS . 37.8 t -92.61 -60.9 1.71 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.366 179.073 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 95.14 -35.55 4.21 Favored Glycine 0 C--N 1.331 0.266 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.905 179.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 20.9 ttt180 -58.39 146.15 35.81 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 179.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.1 145.98 54.76 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.909 0.385 . . . . 0.0 111.395 -179.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.25 159.15 4.75 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.227 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -117.23 -146.65 8.38 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.616 -0.802 . . . . 0.0 113.713 -179.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -103.99 0.29 29.76 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -178.58 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -96.6 169.69 9.72 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.949 0.404 . . . . 0.0 111.268 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 82.9 p -130.32 157.92 41.23 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.795 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -83.69 97.48 9.13 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.715 179.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 52.1 p -102.66 -173.13 2.25 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.682 -178.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.1 -38.35 57.05 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.968 178.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -52.42 -45.03 65.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.161 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 25.4 mt -68.08 -39.77 81.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.062 179.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -55.09 -50.85 68.13 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.515 178.581 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.0 tptp -58.99 -50.52 73.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.337 178.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.419 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 43.8 t -48.93 -44.53 40.58 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.242 179.593 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 82.0 mt -65.82 -46.04 89.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.312 179.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 69.6 m -55.04 -38.31 67.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.209 -179.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -69.1 -40.16 78.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.916 0.388 . . . . 0.0 110.053 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.419 ' HG3' ' O ' ' A' ' 92' ' ' SER . 12.2 mtpp -73.54 -28.72 62.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.624 178.412 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 15.8 tptt 53.65 74.86 0.29 Allowed 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.631 -179.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 18.6 m -122.86 175.75 5.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.359 -179.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 55.7 mttm -92.32 55.44 2.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.255 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.426 ' HA ' ' O ' ' A' ' 70' ' ' ARG . 69.3 mt -119.7 118.21 56.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.433 179.161 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -130.77 176.58 8.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.053 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -101.32 125.91 48.01 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.911 -178.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 61.8 t0 -67.76 121.75 16.62 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 178.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.403 ' HB3' ' NZ ' ' A' ' 104' ' ' LYS . 0.3 OUTLIER -80.1 -18.77 49.05 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -178.675 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 75.7 m -68.56 -10.56 56.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.766 -0.197 . . . . 0.0 111.471 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -78.66 -176.16 4.74 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-O 121.015 0.436 . . . . 0.0 112.037 -179.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -130.7 -43.84 1.1 Allowed 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.928 179.754 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 34.1 p80 -91.81 175.85 6.74 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.651 -179.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 6.3 mt -133.23 79.73 1.85 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.942 179.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -145.64 103.9 3.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.274 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 32.0 pt -79.15 169.4 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.985 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 20.0 p -81.93 169.35 16.89 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.484 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.15 -37.46 81.06 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.095 0.474 . . . . 0.0 110.303 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 79.8 t80 -52.2 -61.19 2.43 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.398 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 8.9 m170 -60.33 -41.87 94.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.683 -179.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 6.6 ttpp -52.72 -53.68 44.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.018 0.437 . . . . 0.0 110.734 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -64.45 -36.29 83.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.085 -179.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 5.3 tt -62.34 -48.24 80.7 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.871 -179.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 56.4 mt -80.47 -40.15 19.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -177.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -66.24 -38.83 88.81 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.666 0.987 . . . . 0.0 113.666 -177.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 28.9 p . . . . . 0 N--CA 1.468 0.444 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 -176.319 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 . . . . . 0 N--CA 1.454 -0.243 0 CA-C-O 120.786 0.327 . . . . 0.0 110.293 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.3 tp -118.35 159.87 22.65 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.046 0.45 . . . . 0.0 111.929 179.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 42.7 t -67.96 140.45 56.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.899 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 91.5 m -108.15 41.07 1.62 Allowed 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -178.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 80.2 mt -130.69 154.62 47.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.866 0.365 . . . . 0.0 110.607 177.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 45.6 mtp85 -119.53 118.28 30.62 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.867 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -90.24 126.46 35.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.823 0.344 . . . . 0.0 110.258 179.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 54.0 27.7 7.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.578 -179.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 89.22 -4.59 84.46 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.776 -0.726 . . . . 0.0 113.099 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -111.41 143.34 42.39 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.039 0.447 . . . . 0.0 111.575 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.6 tpp85 -53.07 161.51 0.81 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.601 -0.727 . . . . 0.0 112.1 -178.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 24.0 t -79.09 -67.99 0.7 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.461 179.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 102.16 -22.25 38.62 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.531 -0.842 . . . . 0.0 112.624 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 55.5 ttt85 -83.38 135.36 34.73 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.89 154.12 12.81 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.071 0.463 . . . . 0.0 111.536 -178.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.45 149.15 44.47 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.713 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -104.38 -114.03 3.9 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.771 -0.728 . . . . 0.0 113.498 -179.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -125.74 -28.48 3.24 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -178.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.98 176.7 0.19 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.133 0.492 . . . . 0.0 111.891 -179.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 60.7 p -144.0 141.53 30.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.937 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -70.11 94.02 0.86 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.856 179.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 92.0 p -97.55 -168.67 1.72 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.789 -178.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.3 mtmp? -78.02 -40.26 39.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.828 179.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.4 -38.58 74.52 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.612 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 40.1 mt -69.58 -34.79 63.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.237 179.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -66.36 -45.14 81.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.759 178.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.86 -45.61 91.78 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.945 178.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.3 m -56.86 -47.69 79.8 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.095 179.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.414 HG22 ' CG2' ' A' ' 98' ' ' VAL . 85.6 mt -60.23 -40.87 84.96 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.862 178.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.35 -45.55 91.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.967 -179.727 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.419 ' OE1' ' HA ' ' A' ' 95' ' ' GLN . 5.9 tp60 -64.3 -37.39 87.31 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.991 0.424 . . . . 0.0 109.935 179.541 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -70.51 -35.82 73.43 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 178.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 61.06 81.4 0.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.063 -0.971 . . . . 0.0 109.578 -178.444 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.414 ' CG2' HG22 ' A' ' 93' ' ' ILE . 28.8 m -133.66 174.09 13.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.112 -179.056 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 32.8 mttm -96.47 65.73 2.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.406 -179.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 60.0 mt -133.49 109.18 13.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.26 179.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -127.8 168.49 15.08 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.054 0.454 . . . . 0.0 110.748 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 31.2 tp -83.19 138.08 33.78 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.328 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -79.65 143.56 34.54 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.536 -0.912 . . . . 0.0 108.536 179.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -97.79 -2.64 40.6 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 -178.536 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 56.7 m -87.91 -14.52 39.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.692 0.282 . . . . 0.0 111.105 179.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -68.6 -158.37 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.986 0.422 . . . . 0.0 111.811 -179.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -147.56 -37.38 0.2 Allowed 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.151 -179.534 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 8.0 p80 -114.86 170.65 8.18 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 116.141 -0.482 . . . . 0.0 112.027 -179.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 58.9 mt -116.4 72.2 0.81 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.01 178.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -131.31 96.17 3.95 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.041 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 32.1 pt -79.74 174.66 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.96 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 24.9 p -86.74 175.69 8.12 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.301 179.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -73.18 -34.81 66.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.057 0.456 . . . . 0.0 110.243 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -51.62 -61.07 2.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.432 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 21.5 m170 -65.72 -31.73 72.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.779 -179.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 10.9 ttpp -60.12 -54.25 48.18 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.978 0.418 . . . . 0.0 110.802 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -70.04 -37.88 75.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.599 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 5.6 tt -59.77 -44.17 94.0 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.796 -179.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 71.5 mt -83.07 -41.6 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 113.345 0.869 . . . . 0.0 113.345 -177.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -63.9 -35.23 79.97 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 113.458 0.91 . . . . 0.0 113.458 -178.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 86.2 p . . . . . 0 N--CA 1.465 0.302 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 -175.964 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 . . . . . 0 CA--C 1.521 -0.17 0 CA-C-O 120.898 0.38 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.59 147.53 43.63 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.25 0.548 . . . . 0.0 111.936 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.405 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 45.1 t -48.51 158.74 0.26 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.331 -0.849 . . . . 0.0 111.37 -179.599 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 84.4 m -132.86 28.37 4.21 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.695 -179.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 54.9 mt -114.07 167.01 11.04 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 178.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 44.2 mtp85 -129.6 137.1 50.52 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.957 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -113.31 104.29 12.17 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.929 179.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 72.37 37.52 0.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.284 -178.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 80.88 0.77 88.98 Favored Glycine 0 N--CA 1.448 -0.53 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.969 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -114.19 152.79 30.67 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.348 0.594 . . . . 0.0 112.117 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.96 169.19 5.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.03 -0.986 . . . . 0.0 111.963 -178.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . 0.405 ' HB3' ' HB3' ' A' ' 67' ' ' CYS . 24.2 t -94.51 -73.61 0.57 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.502 179.506 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.93 -30.64 8.79 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 120.425 -0.893 . . . . 0.0 112.868 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.43 ' NH1' ' HB2' ' A' ' 114' ' ' TYR . 22.3 ttt180 -66.61 134.71 52.88 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 179.567 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.09 156.17 5.77 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.941 0.4 . . . . 0.0 111.58 -178.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.14 155.09 37.38 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.38 -179.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -112.25 -129.34 5.24 Favored Glycine 0 C--N 1.332 0.355 0 C-N-CA 120.707 -0.759 . . . . 0.0 113.744 -179.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 23.8 p30 -106.57 -19.03 13.79 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -178.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -77.33 170.0 17.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.135 0.493 . . . . 0.0 111.856 -179.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -138.21 156.84 47.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.387 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -80.02 87.29 5.42 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.811 -0.441 . . . . 0.0 109.811 179.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 66.9 p -96.28 -169.71 1.96 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.049 -179.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.8 mppp? -78.08 -39.38 41.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.416 178.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.6 tmm_? -53.37 -47.59 69.3 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.798 0.332 . . . . 0.0 110.142 179.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.4 ' O ' HG13 ' A' ' 93' ' ' ILE . 23.4 mt -65.96 -39.86 85.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.033 179.221 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.8 -53.52 57.42 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.022 0.439 . . . . 0.0 110.167 179.396 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.29 -35.73 76.24 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.22 179.589 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.435 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 36.1 m -60.32 -52.24 66.11 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.795 178.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 89' ' ' ILE . 82.5 mt -57.29 -40.86 76.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.267 179.071 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.8 m -60.53 -33.91 73.34 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.234 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.63 -32.29 63.97 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.337 179.194 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.435 ' HG3' ' O ' ' A' ' 92' ' ' SER . 1.6 mtpm? -77.63 -33.06 53.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.835 178.751 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 30.3 mmtt 57.14 71.44 0.58 Allowed 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.248 -178.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 31.6 m -125.31 170.76 14.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.395 -179.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 7.8 mmtp -82.95 56.38 3.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.422 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 42.6 mt -132.16 117.97 34.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.414 179.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -141.89 166.15 25.52 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.726 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.87 131.95 34.2 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.751 -179.501 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -79.7 147.04 32.11 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 177.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -92.3 -14.68 28.46 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -178.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.4 p -71.99 -31.02 65.84 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.748 0.309 . . . . 0.0 111.277 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -49.06 131.78 19.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.155 0.503 . . . . 0.0 111.556 -179.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 18.4 ttp180 -75.11 -17.41 60.44 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.043 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 26.2 p80 -146.14 -177.33 5.55 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.977 0.418 . . . . 0.0 111.154 -179.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 94.0 mt -103.74 -127.36 0.23 Allowed 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 178.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 57.25 115.12 0.01 OUTLIER 'General case' 0 C--N 1.339 0.14 0 CA-C-O 121.278 0.561 . . . . 0.0 111.702 179.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 33.7 pt -102.02 164.75 3.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.475 179.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 13.7 p -71.89 159.23 34.63 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.629 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.61 -29.64 69.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.076 0.465 . . . . 0.0 110.246 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . 0.43 ' HB2' ' NH1' ' A' ' 78' ' ' ARG . 33.1 t80 -58.47 -62.14 2.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.498 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 10.8 m80 -61.12 -39.17 89.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.591 -179.102 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 6.3 ttpp -54.42 -53.42 54.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.046 0.45 . . . . 0.0 110.627 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -65.89 -33.78 76.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.163 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 5.5 tt -67.18 -39.8 86.49 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.615 -179.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 73.4 mt -85.24 -42.94 16.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -178.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -60.52 -34.83 74.69 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -178.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 21.5 t . . . . . 0 N--CA 1.467 0.423 0 N-CA-C 114.395 1.257 . . . . 0.0 114.395 -176.528 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.263 0 CA-C-O 120.771 0.32 . . . . 0.0 110.414 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.416 ' HA ' ' HA ' ' A' ' 79' ' ' ALA . 3.9 mp -111.12 140.88 45.3 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.273 0.558 . . . . 0.0 111.859 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.421 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 35.2 t -39.94 158.08 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.115 -0.948 . . . . 0.0 111.631 -179.674 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 29.6 p -125.0 39.4 3.99 Favored 'General case' 0 CA--C 1.529 0.144 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 -179.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 54.2 mt -130.44 139.73 50.57 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 178.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 43.9 mtp180 -110.85 126.39 54.61 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.894 0.378 . . . . 0.0 111.092 -179.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -102.62 108.5 19.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.806 178.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 64.88 35.63 8.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.399 -179.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 81.64 -6.13 66.58 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 121.007 -0.616 . . . . 0.0 113.087 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -101.48 131.76 47.45 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.058 0.456 . . . . 0.0 111.257 -179.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.9 tpp85 -65.18 140.92 58.81 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.996 -178.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . 0.421 ' HB3' ' HB3' ' A' ' 67' ' ' CYS . 7.7 t -56.62 -62.58 1.63 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.644 179.625 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 99.4 -48.01 1.3 Allowed Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.674 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 35.5 ttt-85 -53.84 136.04 41.01 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.416 ' HA ' ' HA ' ' A' ' 66' ' ' LEU . . . -54.62 151.38 8.14 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.815 0.34 . . . . 0.0 111.525 -178.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.51 169.11 1.86 Allowed 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.481 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.408 ' N ' ' HA ' ' A' ' 112' ' ' CYS . . . -127.11 -155.44 8.84 Favored Glycine 0 C--N 1.335 0.478 0 C-N-CA 120.596 -0.811 . . . . 0.0 113.595 -179.249 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -94.59 27.25 3.09 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 112.13 0.419 . . . . 0.0 112.13 -178.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -126.83 148.05 49.99 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.888 0.375 . . . . 0.0 111.625 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 43.4 p -115.89 142.89 46.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.595 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -66.32 121.71 15.85 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.674 178.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 80.2 p -127.37 -166.17 1.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.872 0.367 . . . . 0.0 111.35 -178.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 20.6 mttp -77.22 -41.4 41.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.396 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.416 ' HD2' ' N ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -52.66 -55.99 18.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.111 179.35 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.431 HG23 ' CG2' ' A' ' 119' ' ' ILE . 60.1 mt -53.74 -43.73 56.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.081 179.401 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 8.4 tm0? -56.51 -48.43 77.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.931 178.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.35 -46.48 88.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.651 179.324 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.41 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 7.1 t -52.35 -50.72 61.8 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.813 178.707 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.4 HG22 ' CG2' ' A' ' 98' ' ' VAL . 72.6 mt -57.01 -41.02 76.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.234 178.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 16.3 t -62.16 -41.8 98.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.21 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -71.67 -41.65 68.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.901 0.381 . . . . 0.0 110.155 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.41 ' HG3' ' O ' ' A' ' 92' ' ' SER . 5.2 mtpm? -66.06 -41.22 91.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.032 178.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 12.9 mttm 70.46 74.91 0.21 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.386 -0.824 . . . . 0.0 109.629 -178.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.4 ' CG2' HG22 ' A' ' 93' ' ' ILE . 18.2 m -132.38 166.2 29.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.303 -179.191 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 15.6 mmtm -86.45 55.38 3.53 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.489 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 50.3 mt -118.63 104.46 16.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.907 0.384 . . . . 0.0 110.404 179.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -127.82 154.82 44.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.456 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.61 139.16 40.52 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.901 -179.236 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -82.03 144.06 31.11 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 178.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.52 -22.2 20.5 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -178.755 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.5 p -60.8 -38.63 86.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.845 0.355 . . . . 0.0 111.124 -179.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -59.22 -170.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.682 -179.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -141.61 -50.06 0.4 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.347 -179.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . 0.404 ' HB2' ' CE2' ' A' ' 110' ' ' TYR . 18.3 p80 -80.95 174.24 11.82 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.272 -179.07 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 29.9 mt -129.47 82.33 2.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.238 178.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.404 ' CE2' ' HB2' ' A' ' 108' ' ' HIS . 86.5 m-85 -141.03 113.5 8.11 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.761 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 43.7 pt -97.98 154.06 3.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.112 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . 0.408 ' HA ' ' N ' ' A' ' 81' ' ' GLY . 7.0 p -67.95 161.88 25.55 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.623 179.533 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.35 -38.12 85.8 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.08 0.467 . . . . 0.0 110.332 179.703 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -48.84 -59.43 3.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.451 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -64.16 -33.59 76.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.843 -179.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 16.2 ttpp -59.14 -53.0 63.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.061 0.458 . . . . 0.0 110.491 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -67.31 -37.46 83.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.092 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 4.6 tt -64.4 -44.11 92.32 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.655 -179.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.431 ' CG2' HG23 ' A' ' 89' ' ' ILE . 60.0 mt -81.47 -45.04 20.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 -178.321 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -62.35 -32.77 73.6 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -178.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 74.2 m . . . . . 0 N--CA 1.45 -0.45 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 -176.696 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 58.3 mm-40 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.972 0.415 . . . . 0.0 111.543 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 57.1 mt -107.89 149.32 28.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.809 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 35.1 t -45.39 144.66 1.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.074 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.8 p -111.94 35.05 3.87 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -179.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 86.5 mt -119.36 160.95 21.3 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 178.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 42.6 mtp180 -129.83 122.83 29.5 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.239 -179.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -105.14 100.34 9.93 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 178.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 60.14 39.43 19.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.502 -179.205 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 89.14 -3.79 84.43 Favored Glycine 0 CA--C 1.519 0.315 0 C-N-CA 120.879 -0.677 . . . . 0.0 113.173 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -96.03 111.45 23.46 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 117.107 0.453 . . . . 0.0 110.971 -179.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.401 ' O ' ' N ' ' A' ' 77' ' ' GLY . 14.1 tpp85 -70.8 61.84 0.26 Allowed 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.795 -179.006 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 4.3 t 32.43 -88.88 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 179.211 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 117.57 -29.48 6.63 Favored Glycine 0 C--N 1.336 0.548 0 C-N-CA 120.419 -0.896 . . . . 0.0 113.029 -179.347 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 48.9 ttt-85 -68.86 147.47 51.66 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.755 0.312 . . . . 0.0 110.623 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.88 154.02 12.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.716 -179.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.68 150.19 36.36 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.254 179.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -106.03 -140.58 10.06 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.48 -0.867 . . . . 0.0 113.973 -178.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -112.23 24.59 12.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.521 -0.339 . . . . 0.0 111.534 -178.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.409 ' HB1' ' HD3' ' A' ' 116' ' ' LYS . . . -115.32 167.67 10.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.999 0.428 . . . . 0.0 111.554 -179.647 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 55.7 p -129.84 153.8 47.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.693 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -85.53 113.71 21.99 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.876 179.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 78.6 p -116.95 -169.36 1.63 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.157 0.503 . . . . 0.0 111.262 -179.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.64 -37.87 55.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.3 178.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? -52.79 -42.74 65.33 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.889 -0.412 . . . . 0.0 109.889 178.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.405 ' O ' HG13 ' A' ' 93' ' ' ILE . 63.2 mt -66.25 -41.27 88.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.712 178.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -56.95 -52.04 66.78 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-O 121.621 0.724 . . . . 0.0 109.299 178.467 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.8 mmtp -54.38 -48.19 71.81 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 114.627 -1.17 . . . . 0.0 109.728 178.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.411 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 27.8 t -56.84 -39.8 74.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.248 178.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 89' ' ' ILE . 89.9 mt -65.44 -45.36 93.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.292 179.271 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 13.6 t -57.54 -36.85 72.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.35 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 11.1 tp60 -72.23 -50.65 25.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.852 0.358 . . . . 0.0 110.42 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 97' ' ' LYS . 16.3 mttm -59.94 -42.65 94.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.053 0.454 . . . . 0.0 110.578 179.189 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.418 ' HB2' ' O ' ' A' ' 96' ' ' LYS . 3.2 mtmt 68.9 76.87 0.23 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.616 -178.051 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 32.8 m -131.83 175.69 10.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.966 -179.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.95 64.38 2.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.884 0.373 . . . . 0.0 111.354 -179.571 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 45.1 mt -133.44 104.77 6.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.273 179.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -130.06 152.06 49.93 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.056 0.455 . . . . 0.0 110.972 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 17.4 tp -71.97 145.5 48.35 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.61 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -92.53 113.19 25.4 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 177.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 3.0 mmmm -75.34 -5.22 43.63 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -178.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 58.3 m -77.77 -19.36 55.21 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.625 0.25 . . . . 0.0 111.223 179.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -79.34 -157.38 0.13 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.699 -179.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.4 ptp85 -146.49 -49.3 0.2 Allowed 'General case' 0 N--CA 1.456 -0.136 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.161 -179.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 15.0 p80 -80.39 152.03 29.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.506 -179.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 79.4 mt -116.03 84.06 2.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.104 178.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -143.58 108.24 4.87 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.356 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 34.2 pt -91.68 160.86 2.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.991 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 9.4 p -76.69 155.31 33.44 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.583 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -56.4 -31.8 64.22 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.124 0.488 . . . . 0.0 110.156 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 79.8 t80 -53.87 -60.64 3.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.244 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 16.4 m170 -65.32 -32.53 74.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.763 -179.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.409 ' HD3' ' HB1' ' A' ' 83' ' ' ALA . 16.4 ttpp -60.08 -52.97 63.07 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.982 0.42 . . . . 0.0 110.589 179.686 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -66.99 -41.06 87.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.895 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 6.0 tt -59.57 -42.16 91.81 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.024 -179.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.415 ' HA ' ' HE3' ' A' ' 96' ' ' LYS . 54.1 mt -87.3 -43.99 15.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 -177.708 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -64.71 -47.25 79.03 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 -178.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.6 t . . . . . 0 N--CA 1.467 0.413 0 N-CA-C 114.684 1.364 . . . . 0.0 114.684 -174.969 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 44.2 mm-40 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 121.08 0.467 . . . . 0.0 111.421 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 26.2 mt -123.45 156.94 34.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.496 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 44.8 t -48.38 156.88 0.38 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.84 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 17.3 p -120.08 24.5 10.43 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.846 0.355 . . . . 0.0 111.62 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 63.8 mt -117.31 148.77 41.4 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 178.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.418 ' HG2' ' HD3' ' A' ' 75' ' ' ARG . 68.2 mtp180 -111.29 133.81 53.35 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.795 0.331 . . . . 0.0 111.389 -179.502 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -115.49 111.31 20.56 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.981 179.14 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 56.18 30.42 16.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.689 -179.235 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 96.85 -16.64 60.64 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.859 -0.686 . . . . 0.0 113.307 179.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -86.54 137.09 32.79 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.119 0.485 . . . . 0.0 111.722 -179.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.503 ' O ' ' N ' ' A' ' 77' ' ' GLY . 6.3 tpp85 -80.78 59.24 3.6 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.562 -178.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 7.5 t 45.15 -78.79 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 179.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 103.78 -15.31 52.55 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.308 -179.361 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 10.2 ttt180 -87.69 141.48 28.57 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.871 0.367 . . . . 0.0 110.576 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.53 158.49 1.78 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.69 -179.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -83.41 154.11 24.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.893 178.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -109.94 -106.6 3.0 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.176 -1.012 . . . . 0.0 113.891 -178.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -135.21 -37.74 0.78 Allowed 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -178.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.71 165.45 0.6 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.131 0.491 . . . . 0.0 111.875 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 96.2 p -136.2 137.3 40.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.739 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -59.8 137.71 57.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.924 179.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 88.4 p -144.64 -163.58 1.73 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.05 -179.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.3 mmtm -78.71 -36.7 43.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.497 179.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.47 -41.05 93.38 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.706 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 9.7 mt -69.3 -37.2 75.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 178.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.34 -44.99 95.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.796 178.776 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.72 -40.14 91.91 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.256 179.512 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.7 m -61.05 -44.48 97.32 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.068 178.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 95.6 mt -64.23 -46.17 94.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.09 179.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.0 -47.16 68.49 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.165 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 63.2 tp60 -66.98 -30.62 70.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.038 0.447 . . . . 0.0 110.182 179.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.415 ' HE2' ' HA ' ' A' ' 119' ' ' ILE . 42.4 mttp -72.57 -51.07 21.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.404 179.009 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 2.5 tptm 73.42 61.23 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.316 -178.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 27.4 m -117.58 167.91 10.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.411 -179.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 6.9 mmtp -82.09 52.94 2.09 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.236 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 54.7 mt -134.73 105.34 6.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.454 179.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -136.98 151.24 48.77 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.891 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.5 tp -64.74 140.1 58.83 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.667 -179.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.405 ' HB2' ' HD2' ' A' ' 70' ' ' ARG . 43.9 t0 -101.71 147.36 26.54 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 177.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.402 ' HA ' ' HE3' ' A' ' 104' ' ' LYS . 0.1 OUTLIER -90.4 -13.56 34.72 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -178.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.4 p -64.75 -21.66 66.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.802 0.334 . . . . 0.0 110.967 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -75.41 -172.22 1.71 Allowed 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 121.091 0.472 . . . . 0.0 111.898 -179.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.87 -56.76 0.73 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.105 -179.671 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 28.8 p80 -80.45 151.94 29.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.935 -178.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 83.8 mt -108.13 76.42 1.04 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.684 178.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -140.35 124.43 17.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.044 -179.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 30.0 pt -103.56 166.46 2.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.009 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 9.7 p -84.23 165.19 18.57 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.419 179.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -63.4 -33.23 75.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.007 0.432 . . . . 0.0 110.395 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -55.56 -61.21 2.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.242 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 21.9 m170 -66.68 -36.61 82.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.61 -179.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 10.2 ttpp -56.28 -52.53 64.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.93 0.395 . . . . 0.0 110.31 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -65.19 -44.92 86.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.073 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 5.2 tt -55.21 -49.64 71.42 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.832 -179.175 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.415 ' HA ' ' HE2' ' A' ' 96' ' ' LYS . 60.0 mt -78.05 -42.93 28.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 113.404 0.89 . . . . 0.0 113.404 -177.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -62.86 -30.77 71.76 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 -178.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.533 0.294 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 -176.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 . . . . . 0 N--CA 1.454 -0.245 0 CA-C-O 120.925 0.393 . . . . 0.0 110.41 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 62.6 mt -109.21 169.63 8.56 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.304 179.385 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.408 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 39.4 t -62.75 141.78 58.44 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.411 179.742 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 26.9 p -105.11 34.38 3.24 Favored 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -179.104 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 51.0 mt -114.73 164.02 14.65 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 178.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 25.8 mtp-105 -131.45 102.81 6.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.709 0.29 . . . . 0.0 111.056 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -92.02 102.46 15.01 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.025 179.092 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 66.55 39.46 3.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.701 -179.133 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 82.83 -13.98 39.94 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.848 -0.691 . . . . 0.0 113.14 179.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -85.35 129.83 34.72 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.023 0.44 . . . . 0.0 110.883 -179.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.496 ' O ' ' N ' ' A' ' 77' ' ' GLY . 7.5 tpp85 -82.48 63.28 6.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.371 -178.473 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . 0.408 ' HB3' ' HB3' ' A' ' 67' ' ' CYS . 7.6 t 32.4 -83.83 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 178.609 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 104.79 -17.64 45.2 Favored Glycine 0 C--N 1.336 0.556 0 C-N-CA 120.591 -0.814 . . . . 0.0 113.014 179.644 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 32.4 ttm180 -80.5 157.72 26.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.883 0.373 . . . . 0.0 110.663 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.78 142.77 57.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.959 -179.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.71 154.63 41.22 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.08 179.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -114.17 -141.88 7.87 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.366 -0.921 . . . . 0.0 113.909 -178.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -93.97 -33.11 13.58 Favored 'General case' 0 C--N 1.333 -0.113 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -178.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.81 152.06 45.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.063 0.459 . . . . 0.0 111.86 -179.137 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 24.6 p -114.55 -179.19 3.56 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.143 179.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.467 ' CD2' HD13 ' A' ' 102' ' ' LEU . 85.2 t80 -108.11 92.13 3.94 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 178.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 86.5 p -92.6 -170.14 2.39 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.76 -178.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.47 -40.9 41.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.828 179.594 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.452 ' HD2' ' N ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -52.91 -46.79 68.21 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.792 179.697 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.452 ' N ' ' HD2' ' A' ' 88' ' ' ARG . 58.6 mt -62.31 -40.56 88.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.807 0.337 . . . . 0.0 110.104 179.633 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 11.5 tm0? -59.57 -51.4 69.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.811 179.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.39 -38.9 74.99 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.62 179.163 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.423 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 52.3 m -64.89 -36.42 84.29 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.891 179.047 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 96.7 mt -74.71 -29.17 22.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.018 178.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 47.5 t -68.75 -56.39 8.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.086 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -52.11 -24.04 6.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.888 0.375 . . . . 0.0 110.297 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' A' ' 92' ' ' SER . 33.1 mttm -89.67 -47.82 7.68 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-O 121.301 0.572 . . . . 0.0 110.044 178.541 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 70.1 81.43 0.17 Allowed 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.367 -178.587 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 28.0 m -130.04 169.01 21.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.229 -179.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 8.9 mttp -80.68 61.51 4.39 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.928 0.394 . . . . 0.0 111.297 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 74.4 mt -142.92 104.9 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.363 179.261 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -132.07 165.99 22.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.267 179.621 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.467 HD13 ' CD2' ' A' ' 85' ' ' PHE . 0.6 OUTLIER -82.55 120.85 26.04 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.002 0.43 . . . . 0.0 111.766 -179.71 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -61.17 112.59 2.18 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 178.281 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 14.6 mmtp -66.56 -24.38 66.35 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -179.099 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 10.4 p -58.97 -34.43 71.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.796 0.331 . . . . 0.0 111.034 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -70.92 -173.67 0.83 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.139 0.495 . . . . 0.0 112.049 -179.069 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.7 mtp180 -132.68 -59.99 0.89 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.702 -179.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -60.72 158.04 13.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.934 -178.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 71.5 mt -120.9 84.6 2.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.761 178.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -148.64 117.83 6.84 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.245 -179.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 34.2 pt -103.57 157.98 5.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 23.5 p -74.14 161.87 29.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.525 179.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.39 -33.63 75.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.022 0.439 . . . . 0.0 110.285 179.531 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -51.85 -60.95 2.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.157 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 12.1 m80 -63.19 -42.98 99.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.728 -179.175 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 7.5 ttpp -53.03 -48.93 67.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.097 0.475 . . . . 0.0 110.496 179.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -68.98 -37.89 79.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.157 -179.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 5.2 tt -64.16 -41.07 97.3 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.684 -179.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 59.8 mt -84.3 -34.42 9.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 113.312 0.856 . . . . 0.0 113.312 -177.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -73.19 -34.45 65.98 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 113.328 0.862 . . . . 0.0 113.328 -178.263 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 16.4 m . . . . . 0 C--N 1.328 -0.353 0 N-CA-C 115.065 1.506 . . . . 0.0 115.065 -176.119 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 34.0 mm-40 . . . . . 0 N--CA 1.456 -0.137 0 CA-C-O 120.855 0.36 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 70.5 mt -111.87 138.38 48.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.501 179.02 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.419 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 17.5 t -44.66 138.59 3.3 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.978 179.785 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 24.6 p -102.93 37.21 2.0 Favored 'General case' 0 N--CA 1.462 0.173 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -179.029 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 67.6 mt -118.03 149.07 41.58 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 178.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.423 ' HA ' ' O ' ' A' ' 74' ' ' GLU . 19.9 mtm180 -121.66 111.42 17.17 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.562 -179.432 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -96.54 108.27 20.82 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 178.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 61.08 24.14 14.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.784 -179.03 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 100.13 0.19 56.01 Favored Glycine 0 C--N 1.333 0.38 0 C-N-CA 120.884 -0.674 . . . . 0.0 113.428 179.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.423 ' O ' ' HA ' ' A' ' 70' ' ' ARG . 0.1 OUTLIER -98.9 121.0 40.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 117.164 0.482 . . . . 0.0 111.118 -179.555 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.572 ' O ' ' N ' ' A' ' 77' ' ' GLY . 0.0 OUTLIER -74.53 55.02 0.62 Allowed 'General case' 0 C--O 1.222 -0.345 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.549 -179.004 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . 0.419 ' HB3' ' HB3' ' A' ' 67' ' ' CYS . 4.5 t 44.45 -69.67 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 -179.727 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.572 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 98.54 -33.83 5.75 Favored Glycine 0 N--CA 1.449 -0.475 0 N-CA-C 110.484 -1.046 . . . . 0.0 110.484 -178.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.419 ' HD3' ' HB2' ' A' ' 112' ' ' CYS . 13.3 ttt85 -62.82 144.15 56.85 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 114.942 -0.629 . . . . 0.0 110.142 179.227 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.17 156.37 34.28 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.45 -179.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.33 152.05 42.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.948 179.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -108.06 -125.44 5.27 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.365 -0.921 . . . . 0.0 113.964 -178.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -111.74 -29.33 7.74 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -178.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -73.6 168.15 19.9 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.153 0.501 . . . . 0.0 112.08 -178.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -126.72 171.38 11.23 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.194 179.645 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -92.88 107.69 19.42 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 178.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 88.2 p -112.63 -167.67 1.22 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.198 0.523 . . . . 0.0 111.875 -178.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.54 -44.34 24.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.099 -179.793 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? -51.76 -43.61 63.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.283 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 15.8 mt -65.07 -39.96 87.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.2 179.244 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -60.02 -52.28 66.06 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.024 0.44 . . . . 0.0 110.076 179.287 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -54.32 -44.53 72.12 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.546 179.432 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 15.2 t -54.76 -52.11 63.6 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.874 178.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 81.0 mt -55.77 -41.02 64.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.244 179.157 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 67.9 m -64.18 -36.25 83.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.213 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -73.66 -33.49 64.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.901 0.381 . . . . 0.0 110.075 179.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.417 ' HE2' ' HA ' ' A' ' 119' ' ' ILE . 27.6 mttp -78.28 -38.43 42.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.608 178.459 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 63.58 83.44 0.16 Allowed 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.208 -0.906 . . . . 0.0 109.686 -178.6 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 28.6 m -136.04 166.11 27.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.154 -179.238 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.06 56.88 2.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.299 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 51.6 mt -129.13 121.54 54.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.476 179.238 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -146.11 152.33 39.13 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.684 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.38 137.98 57.26 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.136 0.493 . . . . 0.0 111.599 -179.681 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -75.92 122.57 24.35 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 177.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.8 mmpt? -85.57 -1.9 57.59 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -179.225 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 81.1 p -98.71 21.46 11.35 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.79 0.329 . . . . 0.0 110.751 179.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -109.17 -172.41 2.04 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 121.176 0.512 . . . . 0.0 111.765 -179.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.45 -31.08 1.24 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.772 179.64 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 20.8 p80 -96.33 168.84 10.32 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.173 0.511 . . . . 0.0 111.961 -179.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 77.6 mt -134.79 72.93 1.46 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.71 178.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -142.88 116.75 9.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.172 -179.355 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 28.8 pt -93.17 173.72 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . 0.419 ' HB2' ' HD3' ' A' ' 78' ' ' ARG . 9.0 p -90.72 163.99 14.29 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.568 179.756 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -59.73 -34.29 72.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.96 0.409 . . . . 0.0 110.796 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -55.47 -62.83 1.42 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.669 -179.536 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 9.2 m80 -61.62 -32.72 72.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.399 -179.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.41 ' O ' ' HB2' ' A' ' 120' ' ' GLN . 10.6 ttpp -61.24 -54.13 48.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.908 0.385 . . . . 0.0 110.462 179.707 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . 0.423 ' O ' ' HB2' ' A' ' 121' ' ' SER . 28.4 t30 -67.06 -26.22 66.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.032 -179.597 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 3.9 tt -73.76 -41.08 62.97 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.424 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.417 ' HA ' ' HE2' ' A' ' 96' ' ' LYS . 46.5 mt -87.31 -36.92 10.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 -178.008 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.41 ' HB2' ' O ' ' A' ' 116' ' ' LYS . 5.0 mm100 -75.11 -39.81 60.37 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 -178.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.423 ' HB2' ' O ' ' A' ' 117' ' ' ASN . 37.6 m . . . . . 0 CA--C 1.533 0.289 0 N-CA-C 115.423 1.638 . . . . 0.0 115.423 -175.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 . . . . . 0 CA--C 1.519 -0.216 0 CA-C-O 121.161 0.505 . . . . 0.0 111.675 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.3 139.1 46.97 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.419 179.765 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 49.3 t -45.72 140.99 3.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.283 -0.871 . . . . 0.0 111.498 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 22.4 p -105.84 22.97 14.69 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.604 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 45.0 mt -108.48 146.34 33.33 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 178.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.421 ' HG2' ' HD3' ' A' ' 75' ' ' ARG . 37.1 mtp180 -114.32 131.55 56.49 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.302 -179.282 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -115.55 103.75 11.04 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.663 178.73 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 65.23 17.15 10.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.917 -178.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 112.57 -21.91 18.18 Favored Glycine 0 C--N 1.334 0.463 0 C-N-CA 120.695 -0.764 . . . . 0.0 113.316 179.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -80.34 134.64 36.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.805 0.302 . . . . 0.0 111.58 -179.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.526 ' O ' ' N ' ' A' ' 77' ' ' GLY . 0.0 OUTLIER -80.54 56.27 2.55 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.003 -179.417 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 4.4 t 49.32 -71.58 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 179.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 103.77 -36.88 4.05 Favored Glycine 0 N--CA 1.45 -0.405 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 -178.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 43.6 ttt180 -71.53 140.1 49.76 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 178.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.06 160.61 23.46 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.923 0.392 . . . . 0.0 111.573 -178.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.33 159.77 31.96 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.114 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -123.66 -120.93 2.59 Favored Glycine 0 C--N 1.332 0.33 0 C-N-CA 120.485 -0.864 . . . . 0.0 113.657 -179.178 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -108.02 -42.3 4.71 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -178.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.67 142.94 21.66 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.08 0.467 . . . . 0.0 111.658 -179.214 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 25.1 p -116.96 139.4 50.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.722 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -65.25 124.24 21.67 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.089 179.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.57 -171.22 2.35 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.92 0.39 . . . . 0.0 111.494 -179.322 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -76.75 -37.75 55.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.835 179.74 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.64 -47.4 73.55 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.017 178.807 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.401 HG22 HG22 ' A' ' 119' ' ' ILE . 67.3 mt -63.32 -35.81 73.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.007 179.012 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -64.37 -47.42 79.36 Favored 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 178.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -58.48 -40.8 83.74 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-N 114.336 -1.302 . . . . 0.0 110.264 178.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.1 m -64.99 -52.49 55.89 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.108 178.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 91.7 mt -55.96 -35.77 41.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.289 179.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.15 -53.13 58.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.15 -179.716 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.28 -40.04 95.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.838 0.351 . . . . 0.0 110.191 179.777 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 33.3 mtpt -67.91 -38.8 83.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.355 0.598 . . . . 0.0 109.834 178.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.41 ' HE3' ' HA ' ' A' ' 97' ' ' LYS . 0.0 OUTLIER 57.86 74.49 0.42 Allowed 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.585 -178.623 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 19.6 m -120.61 166.53 14.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.194 -179.114 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 5.1 mmtm -76.39 57.63 1.21 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.097 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 46.8 mt -140.52 118.04 9.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.882 0.372 . . . . 0.0 110.448 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -139.45 165.8 26.25 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.28 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.82 131.92 34.22 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.456 0.646 . . . . 0.0 112.006 -179.432 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -76.66 145.92 38.48 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.001 -1.0 . . . . 0.0 108.731 177.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 35.7 mttp -102.38 -23.87 13.91 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.865 0.364 . . . . 0.0 110.871 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.4 t -60.01 -16.87 34.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.177 179.041 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -84.31 -153.94 0.16 Allowed 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.613 -179.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.31 -54.77 0.08 Allowed 'General case' 0 C--O 1.232 0.173 0 CA-C-O 121.024 0.44 . . . . 0.0 110.718 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 23.4 p80 -68.78 151.41 46.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.894 -0.593 . . . . 0.0 112.022 -179.071 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 96.7 mt -113.23 62.7 0.64 Allowed 'General case' 0 C--O 1.231 0.12 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.407 179.245 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -128.75 122.49 30.74 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.946 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 38.9 pt -107.02 161.05 6.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 120.916 0.388 . . . . 0.0 110.928 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 20.3 p -74.5 172.5 11.88 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.427 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -72.02 -32.11 66.84 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.12 0.486 . . . . 0.0 110.115 179.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 47.1 t80 -50.72 -58.25 6.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.209 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 16.7 m80 -66.3 -39.87 89.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.643 -179.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.427 ' O ' ' HB2' ' A' ' 120' ' ' GLN . 12.6 ttpp -53.0 -50.2 64.66 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.875 0.369 . . . . 0.0 110.241 179.727 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 64.8 t-20 -69.68 -39.95 76.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.351 -179.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 4.4 tt -62.34 -35.37 78.9 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.848 -179.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.401 HG22 HG22 ' A' ' 89' ' ' ILE . 71.6 mt -92.14 -49.42 13.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 -177.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.427 ' HB2' ' O ' ' A' ' 116' ' ' LYS . 9.8 mm-40 -52.22 -38.63 58.53 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 113.202 0.816 . . . . 0.0 113.202 -178.577 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 42.7 m . . . . . 0 CA--C 1.537 0.454 0 N-CA-C 115.344 1.609 . . . . 0.0 115.344 -175.958 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 . . . . . 0 CA--C 1.521 -0.144 0 CA-C-O 120.983 0.42 . . . . 0.0 111.35 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.75 151.32 26.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.396 179.699 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 22.4 t -46.89 148.71 1.0 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.457 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 29.8 p -117.52 13.47 14.38 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 58.3 mt -104.6 149.97 25.06 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 178.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.3 mtp180 -114.59 113.9 25.0 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.821 0.343 . . . . 0.0 111.505 -179.203 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -98.54 113.87 26.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.076 179.15 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 59.57 25.92 14.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.709 -179.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 94.19 -1.8 67.8 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.784 -0.722 . . . . 0.0 113.153 179.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -99.93 135.15 41.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 117.196 0.498 . . . . 0.0 111.41 -179.689 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.545 ' O ' ' N ' ' A' ' 77' ' ' GLY . 4.8 tpp85 -77.54 55.75 1.34 Allowed 'General case' 0 C--O 1.226 -0.172 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.069 -179.629 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER 46.63 -70.77 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 113.817 1.043 . . . . 0.0 113.817 -179.619 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.545 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 100.33 -23.24 36.6 Favored Glycine 0 N--CA 1.45 -0.367 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 -178.746 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 45.9 ttt180 -80.93 154.42 27.01 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 178.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.22 158.62 34.87 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.025 0.441 . . . . 0.0 111.709 -178.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.02 159.26 26.28 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.063 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -112.53 -127.75 4.87 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.508 -0.853 . . . . 0.0 113.681 -179.027 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -124.08 -3.0 8.1 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 -178.355 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.444 ' HB2' ' CD ' ' A' ' 116' ' ' LYS . . . -89.44 175.73 7.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.083 0.468 . . . . 0.0 111.631 -179.528 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -136.7 145.8 45.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.648 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -78.78 112.97 16.45 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 178.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 87.9 p -119.85 -164.9 1.11 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.352 -178.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.7 mmmm -79.2 -44.49 21.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.137 179.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -51.06 -50.76 58.03 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.564 -179.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 69.5 mt -59.73 -39.63 80.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.346 179.544 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -60.54 -31.1 70.21 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.014 0.435 . . . . 0.0 109.835 179.02 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.6 tmtp? -75.58 -43.79 46.48 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.638 179.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.0 m -59.44 -32.25 70.04 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.939 178.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 79.5 mt -79.4 -47.06 22.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.853 178.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.5 t -51.27 -53.99 30.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.085 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -61.77 -16.04 46.3 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.755 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 45.7 mttp -92.66 -37.04 12.63 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 177.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.77 73.18 0.46 Allowed 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.459 -178.332 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 9.1 m -120.39 179.13 2.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.246 -179.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.17 53.11 2.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.273 -179.566 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 88.8 mt -128.71 118.27 46.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.151 179.094 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -143.18 170.1 16.36 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.745 -179.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 22.2 tp -94.34 140.25 30.03 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.234 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -88.66 162.45 16.3 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 178.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.8 mtmm -102.92 -13.41 16.94 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.605 -0.438 . . . . 0.0 112.115 -178.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 86.8 p -66.8 -32.01 73.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.754 0.311 . . . . 0.0 111.591 -179.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -82.22 139.44 34.25 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.938 0.399 . . . . 0.0 112.055 -178.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.11 -27.2 13.94 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.672 179.447 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 25.2 p80 -91.64 149.77 21.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.992 -178.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 73.8 mt -110.67 80.73 1.34 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.506 179.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -140.1 106.37 5.26 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.268 179.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 32.5 pt -90.56 165.42 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.95 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 21.1 p -78.82 173.5 12.45 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.45 179.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 63.4 t0 -73.5 -23.38 60.03 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.601 179.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -62.46 -61.34 2.51 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.257 -179.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 22.9 m170 -63.04 -28.78 70.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.439 -179.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.444 ' CD ' ' HB2' ' A' ' 83' ' ' ALA . 18.2 ttpp -66.13 -53.96 31.36 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.864 0.364 . . . . 0.0 110.437 179.769 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -66.21 -30.93 71.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.12 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 6.0 tt -70.83 -52.05 22.8 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.799 -179.095 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 79.1 mt -76.55 -42.89 35.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -178.001 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.421 ' HB2' ' O ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -65.35 -32.53 74.22 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 -178.466 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 74.4 m . . . . . 0 N--CA 1.449 -0.482 0 N-CA-C 115.33 1.604 . . . . 0.0 115.33 -175.818 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 69.2 mm-40 . . . . . 0 N--CA 1.456 -0.151 0 CA-C-O 120.898 0.38 . . . . 0.0 110.683 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -117.77 152.29 35.59 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 179.773 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 53.5 t -41.27 144.97 0.27 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.516 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 20.6 p -108.33 28.84 7.92 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.933 0.397 . . . . 0.0 111.527 -179.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 30.2 mt -130.49 161.4 31.52 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.666 178.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.461 ' HD2' ' HD3' ' A' ' 75' ' ' ARG . 6.2 mtm180 -127.55 117.94 23.02 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.701 0.286 . . . . 0.0 110.833 179.711 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -94.78 122.0 36.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.905 0.383 . . . . 0.0 110.001 179.156 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 54.26 30.81 13.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.736 -179.25 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 92.0 -12.26 69.98 Favored Glycine 0 CA--C 1.519 0.338 0 C-N-CA 120.784 -0.722 . . . . 0.0 113.24 179.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -91.81 139.11 30.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.885 0.343 . . . . 0.0 111.431 -179.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.476 ' O ' ' N ' ' A' ' 77' ' ' GLY . 1.6 tpp85 -75.36 59.99 1.1 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.518 -179.139 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 6.9 t 47.39 -78.58 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 113.318 0.859 . . . . 0.0 113.318 179.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 113.94 -23.93 12.42 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.622 -0.799 . . . . 0.0 111.763 -178.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 45.6 mtt-85 -88.81 148.62 23.81 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 179.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.11 157.92 37.36 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.013 0.435 . . . . 0.0 111.969 -178.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.39 155.45 18.06 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.017 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -109.36 -114.21 3.66 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.513 -0.851 . . . . 0.0 113.548 -179.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -133.32 -33.63 1.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.454 0.538 . . . . 0.0 112.454 -178.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.42 175.83 0.71 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.041 0.448 . . . . 0.0 112.096 -179.29 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.0 p -130.24 161.72 30.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.427 179.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -91.19 108.1 19.65 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.115 179.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 62.0 p -112.68 -164.33 0.91 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.098 -179.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.0 tppp? -79.27 -42.71 25.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.277 178.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -53.01 -37.55 61.58 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.808 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.405 HG22 HG21 ' A' ' 119' ' ' ILE . 8.3 mt -70.14 -48.14 63.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 178.74 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.12 -43.77 70.75 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.552 0.691 . . . . 0.0 109.493 178.702 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.3 mmtp -66.2 -42.9 88.17 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 114.888 -1.051 . . . . 0.0 110.152 179.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 28.1 t -59.22 -32.27 69.8 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.321 179.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 89' ' ' ILE . 70.7 mt -79.97 -39.79 19.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.388 179.423 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.0 m -61.82 -37.83 85.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.265 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -70.65 -36.98 73.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.886 0.374 . . . . 0.0 110.25 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 29.3 mttp -73.49 -45.98 50.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.271 0.558 . . . . 0.0 110.135 178.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 73.83 75.89 0.13 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.366 -178.446 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 23.8 m -128.37 166.57 25.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.119 -179.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 10.6 mttp -80.19 63.66 4.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.324 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 74.0 mt -135.37 105.1 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.398 179.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -127.58 153.91 45.83 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.429 179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.06 124.67 28.32 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.994 0.426 . . . . 0.0 111.83 -179.459 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -65.46 154.07 39.54 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 177.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.4 mtpp -105.17 -18.58 14.09 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.642 -0.423 . . . . 0.0 111.604 -179.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 47.3 p -74.13 -6.96 50.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.627 -0.261 . . . . 0.0 111.354 179.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -61.43 -176.62 0.08 Allowed 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 121.219 0.533 . . . . 0.0 112.109 -179.221 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 8.3 mtm180 -148.14 20.31 1.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.398 179.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 33.6 p80 -168.41 169.27 10.7 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.799 -179.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 88.3 mt -123.24 77.64 1.5 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.101 179.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -141.2 106.59 5.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.338 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 43.9 pt -87.12 159.57 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.942 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 25.1 p -76.39 165.7 24.47 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.689 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -63.38 -39.91 95.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.186 179.271 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -48.23 -61.48 1.97 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.566 -179.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 22.6 m170 -66.95 -34.17 77.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.801 -179.203 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 6.7 ttpp -55.87 -50.64 70.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.023 0.439 . . . . 0.0 110.709 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.25 -41.49 73.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.392 -179.438 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 10.5 tt -60.14 -40.23 89.1 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.821 -179.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.426 HD11 HG21 ' A' ' 119' ' ' ILE . 50.0 mt -83.92 -43.88 17.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 -178.224 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -69.19 -35.67 76.49 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 -178.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 95.5 p . . . . . 0 N--CA 1.467 0.382 0 N-CA-C 114.463 1.283 . . . . 0.0 114.463 -176.203 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 72.1 mm-40 . . . . . 0 N--CA 1.461 0.125 0 CA-C-O 121.166 0.508 . . . . 0.0 111.961 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 64.7 mt -108.86 155.99 20.18 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.642 179.558 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 32.0 t -60.16 149.81 31.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.893 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 61.3 m -117.51 39.92 3.19 Favored 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -179.238 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 54.8 mt -122.18 158.45 29.36 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 178.239 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.404 ' O ' ' HA ' ' A' ' 100' ' ' ILE . 49.8 mtm180 -129.75 129.42 44.12 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.46 -0.337 . . . . 0.0 111.172 -179.549 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -105.01 107.01 17.76 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.997 178.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 39.9 t0 64.23 30.74 13.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.607 -179.205 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 96.96 -29.72 10.16 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.882 -0.675 . . . . 0.0 113.14 179.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -78.12 139.31 39.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.027 0.441 . . . . 0.0 111.643 -179.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.2 tpp85 -76.12 146.53 39.21 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.907 -179.078 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 47.6 t -65.22 -83.84 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.618 179.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 110.99 -30.99 7.58 Favored Glycine 0 C--N 1.333 0.376 0 C-N-CA 120.326 -0.94 . . . . 0.0 113.181 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 37.4 ttt85 -59.79 144.43 48.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.729 0.3 . . . . 0.0 110.71 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.14 156.09 1.73 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.439 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.99 162.42 28.6 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.375 179.27 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -115.4 -134.0 5.49 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.294 -0.955 . . . . 0.0 113.975 -178.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -111.65 -20.2 12.21 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 111.852 0.316 . . . . 0.0 111.852 -178.334 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.42 ' CB ' ' HG3' ' A' ' 116' ' ' LYS . . . -80.7 168.8 18.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.109 0.48 . . . . 0.0 111.673 -179.382 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.2 m -133.51 145.28 50.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.638 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -63.73 131.15 46.98 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 178.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 61.1 p -142.18 -176.84 4.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.138 0.494 . . . . 0.0 111.719 -179.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.1 mmmm -72.39 -42.09 65.59 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.903 179.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -52.76 -43.94 66.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.951 179.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.402 HG23 HG21 ' A' ' 119' ' ' ILE . 9.7 mt -65.32 -39.09 84.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.137 179.22 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -58.35 -40.77 83.11 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 178.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.2 tptm -63.98 -50.34 68.94 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.567 178.55 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 9.6 t -52.78 -36.68 58.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.248 179.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 96.5 mt -74.44 -42.99 49.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.484 179.304 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 6.9 t -57.55 -39.38 76.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.11 -179.588 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -69.78 -40.48 76.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.018 0.437 . . . . 0.0 110.151 179.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.433 ' O ' ' HB2' ' A' ' 97' ' ' LYS . 23.8 mtpp -67.24 -42.4 84.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.502 179.201 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.433 ' HB2' ' O ' ' A' ' 96' ' ' LYS . 9.5 mmtt 68.06 57.0 0.51 Allowed 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.647 -178.453 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 20.7 m -106.74 160.07 6.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.468 -179.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 4.3 mmtm -77.67 55.32 1.32 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.406 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.404 ' HA ' ' O ' ' A' ' 70' ' ' ARG . 61.7 mt -125.84 123.48 64.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.883 0.373 . . . . 0.0 110.477 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -142.87 145.06 32.76 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.612 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.7 tp -68.44 134.78 50.68 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.087 -0.506 . . . . 0.0 112.0 -179.357 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 52.9 t0 -86.79 122.05 30.13 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 177.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.4 mtpp -79.64 -13.47 59.47 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -178.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 40.3 p -82.7 9.56 9.37 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-O 120.57 0.224 . . . . 0.0 111.185 179.342 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -78.48 -135.52 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 116.719 -0.219 . . . . 0.0 111.429 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 12.4 tpp85 -161.49 -62.28 0.05 Allowed 'General case' 0 C--N 1.34 0.164 0 CA-C-O 121.236 0.541 . . . . 0.0 110.428 -179.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 18.3 p80 -94.86 -177.94 4.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.721 -178.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 85.3 mt -133.14 69.27 1.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.07 179.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -140.48 95.85 2.94 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.065 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 40.8 pt -73.68 169.89 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.131 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 8.7 p -80.34 169.21 18.05 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.585 179.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -68.41 -39.78 81.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.179 0.514 . . . . 0.0 110.153 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -50.24 -61.46 2.15 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.46 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 10.5 m170 -64.88 -36.04 83.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.829 -179.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.42 ' HG3' ' CB ' ' A' ' 83' ' ' ALA . 8.3 ttpp -55.48 -53.75 52.43 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.046 0.451 . . . . 0.0 110.528 179.712 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -64.75 -42.53 95.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.621 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 3.2 tt -57.28 -41.9 80.61 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.875 -178.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.441 HD13 HG21 ' A' ' 119' ' ' ILE . 49.5 mt -81.99 -43.83 19.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 -178.021 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -73.94 -34.02 64.15 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 113.475 0.917 . . . . 0.0 113.475 -178.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 5.7 t . . . . . 0 C--N 1.329 -0.302 0 N-CA-C 114.54 1.311 . . . . 0.0 114.54 -175.99 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.404 ' O ' ' HA ' ' A' ' 79' ' ' ALA . 10.4 mm100 . . . . . 0 CA--C 1.522 -0.13 0 CA-C-O 120.784 0.326 . . . . 0.0 111.2 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 37.6 mt -118.14 152.61 35.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.713 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 48.6 t -45.95 151.2 0.49 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.955 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 31.3 p -113.84 23.71 12.77 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -179.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 96.8 mt -104.61 150.93 24.24 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 178.394 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 78.7 mtp180 -117.6 119.55 35.33 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.781 0.324 . . . . 0.0 111.045 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -96.08 113.26 24.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.876 179.026 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 58.23 24.15 11.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.456 -178.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 96.57 -6.55 65.3 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.879 -0.677 . . . . 0.0 113.156 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -95.58 126.04 40.59 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.16 0.505 . . . . 0.0 111.302 -179.544 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.6 tpp85 -65.84 115.1 5.6 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.556 -0.747 . . . . 0.0 112.26 -178.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 51.4 t -55.08 114.07 1.62 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.228 179.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -94.72 55.17 1.95 Allowed Glycine 0 CA--C 1.519 0.293 0 C-N-CA 120.673 -0.775 . . . . 0.0 113.329 -179.124 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 55.0 ttt85 -127.93 146.56 50.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.757 0.313 . . . . 0.0 110.533 179.197 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.404 ' HA ' ' O ' ' A' ' 65' ' ' GLN . . . -55.68 135.92 51.0 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.935 -179.31 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.21 147.17 48.53 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.099 179.095 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -96.17 -130.38 6.36 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.559 -0.829 . . . . 0.0 113.851 -178.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -121.19 -12.83 8.62 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 -178.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.408 ' HB1' ' HD2' ' A' ' 116' ' ' LYS . . . -71.53 171.12 11.94 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.939 0.4 . . . . 0.0 111.461 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 69.9 p -139.74 125.26 19.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.944 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -51.67 137.04 26.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.093 179.285 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -144.56 -158.75 0.91 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.795 -179.255 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.1 mttp -80.32 -51.58 8.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 112.094 178.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 5.6 tmm_? -51.17 -36.89 43.35 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.968 -179.136 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 47.9 mt -69.34 -39.04 78.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 179.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.99 -49.16 78.57 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 178.337 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.425 ' HA ' ' HE3' ' A' ' 91' ' ' LYS . 0.0 OUTLIER -59.63 -38.14 80.54 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 114.928 -1.033 . . . . 0.0 110.074 179.384 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.416 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 41.2 t -62.09 -50.69 70.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.82 178.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 88.4 mt -58.36 -40.83 79.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.452 179.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 73.4 m -62.51 -36.64 83.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.065 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 9.0 tp60 -70.55 -25.05 62.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.893 0.377 . . . . 0.0 110.198 179.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.416 ' HG3' ' O ' ' A' ' 92' ' ' SER . 32.7 mttm -82.7 -41.86 18.79 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.405 178.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.412 ' HB2' ' O ' ' A' ' 96' ' ' LYS . 0.1 OUTLIER 72.6 69.83 0.13 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.298 -0.865 . . . . 0.0 109.322 -177.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 33.7 m -132.46 172.62 16.09 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.374 -179.167 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 16.1 mmtm -93.95 66.93 3.67 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.458 -179.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 54.1 mt -138.38 98.3 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.359 179.244 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -123.42 175.08 6.95 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.876 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 33.6 tp -89.86 136.29 33.13 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.292 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -80.59 155.15 27.04 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 178.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 8.5 mttm -104.12 -24.23 13.2 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 120.368 -0.533 . . . . 0.0 111.51 -179.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 7.8 p -70.94 -16.82 62.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.648 0.261 . . . . 0.0 110.937 179.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -66.06 -165.78 0.03 OUTLIER 'General case' 0 C--O 1.231 0.091 0 CA-C-O 120.96 0.41 . . . . 0.0 111.757 -179.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.1 -67.42 0.39 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.886 -179.812 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 27.4 p80 -74.86 153.8 38.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.956 -179.06 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 93.9 mt -111.05 77.99 1.08 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.593 179.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -142.75 129.55 20.48 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.267 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 19.1 pt -105.11 168.11 2.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.984 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 14.0 p -84.53 167.79 16.02 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.666 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.33 -31.42 72.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.072 0.463 . . . . 0.0 110.267 179.679 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 58.1 t80 -56.63 -61.99 2.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.457 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 19.7 m80 -65.98 -39.28 90.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.527 -179.133 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.408 ' HD2' ' HB1' ' A' ' 83' ' ' ALA . 0.6 OUTLIER -54.2 -44.63 71.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.985 0.421 . . . . 0.0 110.449 179.801 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -73.82 -37.5 64.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.937 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 7.5 tt -61.67 -37.33 83.71 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.558 -179.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 53.5 mt -90.23 -53.56 8.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 -177.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -61.17 -30.83 70.64 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 -178.247 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 N-CA-C 114.5 1.296 . . . . 0.0 114.5 -176.294 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 . . . . . 0 CA--C 1.518 -0.267 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.1 mp -117.44 137.63 52.38 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-O 121.395 0.617 . . . . 0.0 112.317 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 24.6 t -45.25 142.72 1.94 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 114.926 -1.034 . . . . 0.0 111.404 -179.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 20.5 p -106.31 11.49 30.98 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.831 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.425 HD21 ' HA ' ' A' ' 102' ' ' LEU . 53.6 mt -98.97 162.9 12.82 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.86 0.362 . . . . 0.0 110.174 178.123 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.432 ' HG2' ' HD3' ' A' ' 75' ' ' ARG . 35.7 mtp180 -122.54 143.09 49.95 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.812 -179.732 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -124.45 110.61 14.73 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.068 179.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 59.04 25.18 13.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.663 -179.177 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 102.22 -10.07 56.51 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.787 -0.72 . . . . 0.0 113.245 179.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.405 ' HA ' ' OE1' ' A' ' 74' ' ' GLU . 3.7 mm-40 -94.55 135.25 36.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 117.025 0.412 . . . . 0.0 111.472 -179.701 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.517 ' O ' ' N ' ' A' ' 77' ' ' GLY . 0.5 OUTLIER -78.62 58.89 2.35 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.473 -179.327 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 3.8 t 44.73 -76.94 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 179.1 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 105.23 -37.4 3.83 Favored Glycine 0 N--CA 1.451 -0.361 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -178.686 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 31.7 ttt180 -65.43 150.39 48.42 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 178.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.52 162.69 29.05 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.295 -179.128 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -80.76 146.29 31.07 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.301 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -111.78 -142.54 8.83 Favored Glycine 0 C--N 1.334 0.428 0 C-N-CA 120.737 -0.744 . . . . 0.0 113.995 -179.013 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -97.11 24.21 6.56 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -178.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.434 ' HB3' ' CG1' ' A' ' 111' ' ' ILE . . . -113.4 153.16 29.04 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.026 0.441 . . . . 0.0 111.525 -179.753 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 69.2 p -122.99 152.31 41.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.604 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -90.7 116.48 28.6 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.011 179.239 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 96.5 p -118.3 -168.09 1.47 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.032 -179.386 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.14 -34.2 49.95 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.869 178.39 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.28 -46.53 83.03 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 120.774 0.321 . . . . 0.0 110.619 179.68 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.402 HG23 HG23 ' A' ' 119' ' ' ILE . 87.5 mt -65.55 -33.81 66.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.085 0.469 . . . . 0.0 110.046 179.028 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.27 -48.5 75.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.485 0.659 . . . . 0.0 109.523 178.767 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.13 -43.24 99.19 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.714 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.5 m -59.14 -49.84 76.32 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 178.456 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 89' ' ' ILE . 57.0 mt -56.92 -35.83 48.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.736 178.688 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 40.8 m -62.96 -43.31 99.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.958 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -68.92 -35.12 76.45 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.133 0.492 . . . . 0.0 109.993 179.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 26.0 mtpt -73.68 -33.97 64.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.905 178.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 55.42 59.94 3.64 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.402 -178.689 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 31.3 m -108.12 172.85 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.378 -179.278 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 23.6 mtmm -85.63 58.84 5.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.049 0.452 . . . . 0.0 111.399 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 64.7 mt -138.06 125.75 29.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.045 179.034 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -153.09 149.75 28.41 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.785 -179.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.425 ' HA ' HD21 ' A' ' 69' ' ' LEU . 32.0 tp -60.55 142.97 54.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.294 0.568 . . . . 0.0 112.023 -179.313 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 41.4 t0 -99.87 137.01 38.93 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 177.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 38.0 mmtm -96.29 -20.33 18.61 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -178.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 82.8 p -55.22 -21.31 13.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.667 0.27 . . . . 0.0 111.229 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -75.26 175.13 8.63 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.23 0.538 . . . . 0.0 112.211 -179.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.12 -27.04 8.53 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.498 179.544 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 11.6 p80 -125.58 176.64 6.72 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.405 -179.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 94.6 mt -101.07 -121.46 0.16 Allowed 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.411 178.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 63.04 119.97 0.02 OUTLIER 'General case' 0 N--CA 1.456 -0.174 0 CA-C-O 121.134 0.492 . . . . 0.0 111.687 179.316 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.434 ' CG1' ' HB3' ' A' ' 83' ' ' ALA . 28.0 pt -113.25 156.47 14.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.292 179.299 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 17.4 p -73.51 165.6 24.77 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.722 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -66.16 -27.8 68.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.307 179.499 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 93.6 t80 -56.53 -61.68 2.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.539 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 24.3 m170 -65.2 -36.44 84.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.619 -179.24 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 9.5 ttpp -56.84 -53.11 61.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.001 0.429 . . . . 0.0 110.543 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -66.44 -43.22 86.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.199 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 6.7 tt -58.6 -44.21 89.79 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.779 -179.263 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.402 HG23 HG23 ' A' ' 89' ' ' ILE . 74.8 mt -78.13 -53.22 14.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 113.14 0.793 . . . . 0.0 113.14 -178.078 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -57.68 -41.12 80.93 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 -178.403 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 82.9 p . . . . . 0 N--CA 1.467 0.414 0 N-CA-C 114.48 1.289 . . . . 0.0 114.48 -175.968 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.961 0.41 . . . . 0.0 111.065 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 16.6 mt -121.47 160.11 24.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.537 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.4 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 43.7 t -63.39 158.5 20.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.615 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 88.7 m -121.66 36.09 4.71 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -178.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 77.3 mt -121.12 152.05 39.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.701 0.286 . . . . 0.0 110.305 178.197 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 50.6 mtp85 -123.53 121.58 36.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.064 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -103.63 118.49 36.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.249 179.181 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 54.9 49.86 16.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.687 -179.371 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 64.42 10.56 43.27 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.934 -0.65 . . . . 0.0 113.077 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -114.1 125.62 54.18 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 121.033 0.444 . . . . 0.0 111.021 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.5 tpt180 -66.6 134.21 51.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.649 -0.705 . . . . 0.0 112.083 -178.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . 0.4 ' HB3' ' HB3' ' A' ' 67' ' ' CYS . 42.5 t -52.7 -68.51 0.16 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.594 179.399 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 85.51 -12.44 58.92 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.689 -0.767 . . . . 0.0 113.206 179.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 58.1 ttt85 -71.8 141.85 49.67 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.853 0.359 . . . . 0.0 110.641 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.02 134.69 43.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.775 -179.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.83 155.01 28.11 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.008 179.074 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -113.12 -112.5 3.11 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.21 -0.995 . . . . 0.0 113.805 -178.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -126.21 -17.39 5.24 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -178.45 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -83.68 162.12 20.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.156 0.503 . . . . 0.0 112.078 -178.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 83.0 p -124.41 157.53 34.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.448 179.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -80.52 122.39 26.97 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.739 179.3 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 54.4 p -128.6 -169.07 2.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.205 0.526 . . . . 0.0 111.635 -179.07 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 29.7 mttp -78.04 -39.8 40.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.381 179.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.448 ' NE ' HG13 ' A' ' 89' ' ' ILE . 0.0 OUTLIER -53.32 -42.96 67.23 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.324 179.588 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.448 HG13 ' NE ' ' A' ' 88' ' ' ARG . 14.6 mt -69.48 -32.23 52.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.132 179.172 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.85 -46.39 85.24 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 178.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.2 tptp -64.3 -43.37 94.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.481 178.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 13.6 t -56.38 -42.34 77.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.163 179.193 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 63.0 mt -68.58 -47.14 78.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.431 179.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 9.9 t -56.73 -37.57 71.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.036 -179.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -70.2 -41.06 74.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.989 0.423 . . . . 0.0 109.954 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.3 mtpm? -69.32 -35.06 75.57 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.425 179.103 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 17.1 mmtp 65.38 80.37 0.23 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.62 -178.555 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 17.1 m -141.31 171.2 12.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.089 -179.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.8 mttp -90.02 70.42 7.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.152 0.501 . . . . 0.0 111.459 -179.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 61.3 mt -137.8 118.5 16.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.199 179.234 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -148.51 172.33 14.67 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.611 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 41.9 tp -85.52 144.93 27.64 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.631 -179.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -99.84 127.91 45.97 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 178.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 5.6 mmtp -75.13 -3.08 30.71 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -178.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 51.8 p -79.8 -21.1 44.7 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 121.106 -0.237 . . . . 0.0 111.115 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -77.98 -163.53 0.43 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.873 0.368 . . . . 0.0 111.744 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -141.87 -73.53 0.31 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.331 -179.479 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -66.44 166.27 12.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.619 -178.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 23.7 mt -116.94 82.73 1.85 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.708 178.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -144.07 113.24 6.86 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.303 -179.184 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 25.8 pt -98.56 156.48 3.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.171 -179.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 21.5 p -69.08 164.17 23.1 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.464 179.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -64.91 -40.21 94.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.051 0.453 . . . . 0.0 110.594 179.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -47.7 -60.29 2.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.14 -179.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -61.81 -42.37 98.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.632 -179.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 10.0 ttpp -50.7 -47.63 58.94 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.103 0.478 . . . . 0.0 110.612 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -68.72 -46.4 69.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.186 -179.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 6.7 tt -55.91 -38.29 70.05 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.773 -179.453 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.421 HD12 HG22 ' A' ' 119' ' ' ILE . 57.6 mt -87.85 -55.05 6.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 113.515 0.932 . . . . 0.0 113.515 -177.771 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -61.24 -44.47 97.2 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 114.045 1.128 . . . . 0.0 114.045 -177.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 8.2 t . . . . . 0 N--CA 1.467 0.422 0 N-CA-C 114.663 1.357 . . . . 0.0 114.663 -176.071 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.781 0.324 . . . . 0.0 110.751 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 19.7 mt -127.48 147.35 50.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.615 179.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.409 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 20.1 t -54.18 142.59 25.31 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.665 179.649 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 94.0 m -106.7 36.89 2.48 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 112.095 0.405 . . . . 0.0 112.095 -179.002 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 40.3 mt -128.63 160.37 32.66 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 178.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 64.4 mtp85 -129.09 125.57 37.47 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.871 0.367 . . . . 0.0 111.127 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -105.61 112.8 26.02 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.857 179.037 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 68.39 41.87 1.73 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.699 -179.037 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 66.29 7.59 39.73 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.941 -0.647 . . . . 0.0 113.011 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -118.1 130.74 56.31 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.912 0.386 . . . . 0.0 110.431 -179.47 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.7 tpt180 -54.75 141.06 33.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.992 -0.549 . . . . 0.0 112.172 -178.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . 0.409 ' HB3' ' HB3' ' A' ' 67' ' ' CYS . 6.8 t -58.75 -57.47 12.88 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.458 179.491 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 86.96 -15.79 51.08 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.86 -0.686 . . . . 0.0 113.128 179.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.41 ' HD3' ' HB2' ' A' ' 112' ' ' CYS . 49.4 ttt85 -80.65 131.57 35.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.769 0.319 . . . . 0.0 110.593 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.31 153.0 0.54 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.612 -179.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.88 155.37 40.66 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.208 179.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -104.52 -112.27 3.69 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.349 -0.929 . . . . 0.0 113.73 -178.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -128.91 -37.59 1.71 Allowed 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 -178.512 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.11 171.88 5.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.235 0.54 . . . . 0.0 112.114 -178.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 96.1 p -134.63 143.9 47.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.697 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -63.81 130.25 43.39 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.004 179.312 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 60.6 p -136.08 -164.1 1.5 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.063 0.459 . . . . 0.0 111.28 -179.153 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.8 mttp -78.89 -47.34 16.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.976 178.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.68 -40.42 62.89 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.505 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.402 HG22 HG22 ' A' ' 119' ' ' ILE . 47.3 mt -68.68 -31.95 53.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.022 0.439 . . . . 0.0 110.075 178.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.67 -39.13 84.51 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.401 178.695 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 22.3 tptp -66.03 -47.67 73.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.619 178.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.44 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 43.3 t -55.78 -46.18 77.99 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.764 178.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 78.1 mt -65.35 -36.37 77.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.352 179.232 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 24.5 t -64.86 -40.46 95.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.309 -179.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -73.52 -43.32 60.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.756 0.312 . . . . 0.0 110.336 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.44 ' HG3' ' O ' ' A' ' 92' ' ' SER . 16.1 mtpp -64.92 -31.1 72.17 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.154 0.502 . . . . 0.0 109.674 178.645 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 3.3 mmtt 55.89 80.34 0.14 Allowed 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.973 -178.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 15.7 m -128.74 172.12 15.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.856 -179.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 23.0 mttp -90.52 60.24 4.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.02 0.438 . . . . 0.0 111.349 -179.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 68.3 mt -128.17 112.87 28.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.049 179.081 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -130.68 160.4 34.37 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.812 -179.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -85.24 123.58 30.89 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.75 -179.306 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -76.17 109.43 9.83 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 178.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 22.7 mttp -67.82 -7.88 31.42 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.512 0.56 . . . . 0.0 112.512 -178.293 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 87.8 p -70.6 -30.76 67.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.881 0.372 . . . . 0.0 110.662 179.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -69.37 -170.7 0.29 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.995 -179.265 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -131.21 -79.17 0.52 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.404 -179.594 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 28.9 p80 -54.54 160.42 1.78 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.134 0.492 . . . . 0.0 111.659 -179.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 85.9 mt -116.27 81.41 1.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.343 179.215 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -144.61 119.43 9.89 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.498 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 44.2 pt -100.09 158.82 3.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.985 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . 0.41 ' HB2' ' HD3' ' A' ' 78' ' ' ARG . 7.9 p -70.51 168.14 16.88 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.686 179.658 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -67.41 -31.12 71.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.22 0.533 . . . . 0.0 110.181 179.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -54.37 -57.64 10.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.102 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 16.7 m170 -70.68 -35.89 73.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.733 -179.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.412 ' O ' ' HB2' ' A' ' 120' ' ' GLN . 15.7 ttpp -55.55 -53.22 59.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.916 0.389 . . . . 0.0 110.432 179.665 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -70.34 -37.38 74.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.356 -179.402 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 5.4 tt -63.12 -34.24 77.19 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.754 -179.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.402 HG22 HG22 ' A' ' 89' ' ' ILE . 62.6 mt -95.09 -44.48 13.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 113.296 0.85 . . . . 0.0 113.296 -177.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.412 ' HB2' ' O ' ' A' ' 116' ' ' LYS . 3.2 mt-30 -57.86 -42.22 84.04 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 -178.538 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 8.0 t . . . . . 0 C--N 1.327 -0.402 0 N-CA-C 114.593 1.331 . . . . 0.0 114.593 -175.579 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 67.4 mm-40 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 121.214 0.531 . . . . 0.0 112.287 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 40.0 mt -111.14 147.27 35.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.435 179.494 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 51.3 t -45.95 160.76 0.06 Allowed 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.012 179.887 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 28.8 p -127.84 34.48 4.62 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -179.628 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 95.9 mt -117.59 161.37 19.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.72 0.295 . . . . 0.0 110.431 177.647 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 24.7 mtp180 -120.99 106.57 11.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.122 -179.731 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -84.83 110.45 18.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.293 -0.412 . . . . 0.0 109.977 179.26 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 64.84 44.2 3.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.628 -179.172 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 67.63 5.51 37.91 Favored Glycine 0 CA--C 1.52 0.347 0 C-N-CA 120.943 -0.646 . . . . 0.0 113.013 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -117.2 125.31 50.98 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-O 121.013 0.435 . . . . 0.0 110.907 -179.496 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.6 tpp85 -42.88 157.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.949 -179.233 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 30.7 t -85.66 -71.46 0.53 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.23 179.304 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 99.42 -41.44 2.19 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.926 179.494 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.41 ' HD3' ' HB2' ' A' ' 112' ' ' CYS . 57.5 ttt85 -47.3 140.03 5.83 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.845 0.355 . . . . 0.0 110.975 179.942 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.13 160.77 0.71 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.566 -179.523 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -96.18 150.38 20.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.064 179.01 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -106.02 -104.91 2.98 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.34 -0.933 . . . . 0.0 113.644 -178.928 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -132.69 -9.27 3.17 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -178.763 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -77.0 159.97 29.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.116 0.484 . . . . 0.0 112.016 -178.733 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.5 p -133.11 136.56 45.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.475 179.597 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -70.72 132.34 45.23 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.048 179.315 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -137.42 -158.14 0.84 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.001 -179.686 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.32 -38.04 27.37 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 178.03 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -52.59 -50.37 63.17 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.041 0.448 . . . . 0.0 111.247 -179.364 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 30.1 mt -57.29 -39.76 69.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.123 -179.618 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -59.72 -44.86 93.56 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 178.814 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.8 tptm -56.7 -51.79 67.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.459 178.366 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.414 ' OG ' ' NZ ' ' A' ' 96' ' ' LYS . 0.3 OUTLIER -52.75 -50.45 63.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.196 179.732 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 90.9 mt -57.32 -47.02 85.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.475 179.176 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 34.9 m -57.17 -41.24 78.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.265 -179.75 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -73.71 -28.39 61.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.042 0.449 . . . . 0.0 110.423 179.568 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.435 ' O ' ' HB2' ' A' ' 97' ' ' LYS . 32.0 mttp -78.8 -46.11 19.47 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.73 179.322 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.435 ' HB2' ' O ' ' A' ' 96' ' ' LYS . 17.2 mmtt 72.7 84.6 0.12 Allowed 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.705 -178.049 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 27.6 m -146.66 161.12 9.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.991 -179.3 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.9 62.84 3.46 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.915 0.388 . . . . 0.0 111.34 -179.796 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 74.4 mt -133.37 113.13 18.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.269 179.13 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -144.72 156.54 44.12 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.048 0.451 . . . . 0.0 110.908 -179.928 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 18.1 tp -71.32 145.01 49.75 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.5 -179.929 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -92.72 138.19 31.71 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 177.719 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.24 -23.17 30.55 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 -178.406 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 77.9 p -62.47 -40.48 96.78 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.603 -179.563 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -54.24 -176.35 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.191 0.52 . . . . 0.0 112.078 -179.063 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.35 -64.83 0.92 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.863 -179.329 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 9.2 p80 -73.68 177.1 5.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.678 -179.237 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 44.5 mt -135.11 88.11 2.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.45 179.168 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -147.63 102.71 3.46 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.434 179.654 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 33.5 pt -79.1 169.27 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 -179.947 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . 0.41 ' HB2' ' HD3' ' A' ' 78' ' ' ARG . 19.2 p -90.82 157.06 17.58 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.611 179.743 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.21 -38.76 54.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.04 0.448 . . . . 0.0 110.545 179.661 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -52.33 -62.28 1.74 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.549 -179.562 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 18.1 m170 -65.78 -33.16 75.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.423 -179.37 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 120' ' ' GLN . 15.8 ttpp -57.36 -53.83 53.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.932 0.396 . . . . 0.0 110.442 179.579 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 24.6 t30 -68.18 -37.79 81.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.114 -179.704 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 4.3 tt -60.61 -39.67 89.03 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.726 -179.087 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.405 ' HA ' ' HE2' ' A' ' 96' ' ' LYS . 50.9 mt -90.89 -35.32 7.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 113.309 0.855 . . . . 0.0 113.309 -177.867 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.404 ' HB2' ' O ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -68.7 -40.36 80.06 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 -178.606 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 35.1 t . . . . . 0 C--N 1.329 -0.308 0 N-CA-C 114.728 1.381 . . . . 0.0 114.728 -175.685 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.901 0.382 . . . . 0.0 111.248 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 13.1 mt -135.61 146.94 48.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.715 -179.793 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.4 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 48.0 t -45.47 140.17 3.33 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.138 179.744 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.3 m -107.37 25.59 11.25 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -178.786 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 94.5 mt -107.62 154.99 20.64 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 178.333 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.465 ' HG2' ' HD2' ' A' ' 75' ' ' ARG . 61.0 mtp180 -118.24 112.47 20.14 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.815 0.34 . . . . 0.0 111.386 -179.655 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -100.46 94.72 6.3 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 178.756 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 72.72 42.23 0.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.443 -179.017 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 77.24 -2.37 61.8 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.854 -0.688 . . . . 0.0 113.138 179.832 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -96.8 120.82 37.85 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 121.054 0.454 . . . . 0.0 111.325 -179.622 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.465 ' HD2' ' HG2' ' A' ' 70' ' ' ARG . 8.7 mmm180 -71.28 61.01 0.3 Allowed 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.882 -179.23 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . 0.4 ' HB3' ' HB3' ' A' ' 67' ' ' CYS . 10.9 t 29.86 -92.55 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 179.331 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 123.34 -35.21 3.41 Favored Glycine 0 C--N 1.336 0.571 0 C-N-CA 120.403 -0.903 . . . . 0.0 113.036 -179.964 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 59.9 ttt180 -61.88 154.83 25.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.78 0.324 . . . . 0.0 110.751 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.85 149.14 50.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.798 -179.469 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.79 145.81 55.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.243 179.135 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -98.89 -119.31 4.15 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.462 -0.875 . . . . 0.0 113.813 -178.833 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.406 ' ND2' ' O ' ' A' ' 82' ' ' ASN . 5.6 t30 -131.27 0.59 4.13 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -178.742 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -95.21 167.24 11.48 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.019 0.437 . . . . 0.0 111.658 -179.389 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.5 m -129.15 152.29 48.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.45 179.796 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -78.65 107.07 11.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.951 0.405 . . . . 0.0 109.92 179.071 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 83.0 p -115.54 -162.71 0.84 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.86 -179.214 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.63 -42.07 25.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.812 0.339 . . . . 0.0 111.62 178.965 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -52.94 -39.34 62.8 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-O 121.068 0.461 . . . . 0.0 110.399 -179.268 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.406 HG21 HG21 ' A' ' 119' ' ' ILE . 21.7 mt -71.39 -38.78 70.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.988 179.227 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -59.97 -51.08 71.18 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 178.923 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.2 tptm -59.02 -42.79 91.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.905 179.012 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 39.9 t -56.43 -46.67 80.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.155 179.367 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 89' ' ' ILE . 94.1 mt -60.02 -47.21 92.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.859 178.906 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.413 ' O ' ' HG2' ' A' ' 97' ' ' LYS . 58.1 m -59.34 -29.38 67.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.362 -179.69 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -79.19 -39.51 33.15 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 179.329 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? -70.76 -37.96 73.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.893 178.85 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.413 ' HG2' ' O ' ' A' ' 94' ' ' SER . 0.3 OUTLIER 61.11 74.09 0.46 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.751 -178.829 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 14.9 m -125.81 176.53 6.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.027 -179.361 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 24.1 mttm -86.28 46.69 1.37 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.305 -179.798 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 67.5 mt -112.06 125.06 69.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.121 179.318 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -138.67 166.99 22.93 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.394 -179.854 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 63.2 tp -102.71 137.46 40.89 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.104 0.478 . . . . 0.0 110.988 178.84 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -94.74 118.25 31.43 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 178.679 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 11.8 mmtp -67.04 -21.69 65.91 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -178.509 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 28.9 p -57.14 -35.84 69.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.776 0.322 . . . . 0.0 111.207 -179.466 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -58.43 174.95 0.27 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.13 0.49 . . . . 0.0 111.938 -179.239 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 2.1 ttp85 -123.1 -58.48 1.64 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.925 -179.748 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 23.6 p80 -76.33 149.03 37.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.824 -179.168 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 72.0 mt -108.51 63.29 0.61 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.293 179.096 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -126.0 124.65 41.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.426 179.606 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 21.6 pt -107.01 158.0 7.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.077 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 11.3 p -69.71 157.6 36.98 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.693 179.681 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -61.91 -28.25 69.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.023 0.439 . . . . 0.0 110.249 179.601 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -57.76 -61.5 2.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.265 -179.928 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 20.6 m170 -66.07 -33.49 75.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.771 -179.28 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 5.1 ttpp -60.67 -54.16 48.62 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.018 0.437 . . . . 0.0 110.891 179.932 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -65.8 -36.86 84.7 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.254 -179.555 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 6.0 tt -66.11 -39.43 89.93 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.66 -179.263 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.406 HG21 HG21 ' A' ' 89' ' ' ILE . 84.9 mt -78.15 -46.86 25.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -178.345 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -59.84 -30.52 69.01 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 -178.347 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 62.4 m . . . . . 0 CA--C 1.533 0.317 0 N-CA-C 115.042 1.497 . . . . 0.0 115.042 -175.985 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.748 0.309 . . . . 0.0 110.525 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 58.7 mt -112.21 159.67 18.36 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.944 0.402 . . . . 0.0 111.135 -179.892 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 42.7 t -55.18 153.37 6.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.762 179.766 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 98.7 m -116.18 23.27 12.28 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -179.345 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 75.1 mt -118.5 159.68 23.08 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 178.573 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 39.4 mtp180 -127.2 135.42 50.63 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.819 0.342 . . . . 0.0 111.091 -179.657 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 56.4 tt0 -114.28 108.08 16.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.137 179.148 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 60.82 40.41 15.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.491 -179.375 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 84.05 -7.16 72.15 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.826 -0.702 . . . . 0.0 113.121 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.02 131.99 36.27 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.002 0.43 . . . . 0.0 111.217 -179.662 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.82 61.62 5.98 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 115.839 -0.619 . . . . 0.0 112.05 -178.647 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 35.4 t 31.24 -95.81 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 115.415 -0.812 . . . . 0.0 113.114 178.921 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 122.78 -27.12 6.03 Favored Glycine 0 C--N 1.336 0.539 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.635 -179.578 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.417 ' NH2' ' HB2' ' A' ' 113' ' ' ASP . 41.9 ttt180 -69.62 137.01 51.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.759 0.314 . . . . 0.0 110.763 179.806 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.03 143.47 48.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.685 -179.469 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.03 159.3 4.32 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.955 179.063 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -124.8 -114.55 2.05 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 119.925 -1.131 . . . . 0.0 114.062 -178.782 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 20.3 t30 -126.42 15.62 7.69 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -178.156 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -111.22 150.93 28.86 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.041 0.448 . . . . 0.0 111.526 -179.586 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 24.0 p -123.06 149.96 43.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.771 179.695 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -81.29 120.72 25.28 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.962 179.444 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 61.6 p -126.34 -159.04 0.89 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.407 -178.851 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 32.8 mmtt -79.87 -42.96 23.15 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 121.158 0.504 . . . . 0.0 110.823 179.273 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.8 tmm_? -51.98 -46.04 64.69 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.155 -179.538 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 20.1 mt -64.62 -38.15 81.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.92 0.391 . . . . 0.0 110.076 179.317 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.11 -48.27 80.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.515 0.674 . . . . 0.0 109.409 178.59 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.14 -47.55 85.73 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 114.899 -1.046 . . . . 0.0 110.185 179.187 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.415 ' OG ' ' NZ ' ' A' ' 96' ' ' LYS . 1.2 t -56.12 -49.19 74.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.891 179.3 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 96.7 mt -58.97 -46.86 91.31 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.465 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.16 179.039 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 7.7 t -55.64 -37.58 68.4 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.352 -179.363 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 28.8 tp60 -72.93 -27.81 62.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.924 0.392 . . . . 0.0 110.373 179.868 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.415 ' NZ ' ' OG ' ' A' ' 92' ' ' SER . 38.5 mttp -86.06 -41.7 14.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.393 179.274 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 3.9 mmtp 64.77 89.79 0.09 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.833 -178.18 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 15.6 m -137.14 173.12 13.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.301 -179.165 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 6.3 mmtm -87.02 55.78 3.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.481 -179.695 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 64.9 mt -130.24 118.74 44.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.508 179.365 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.8 pm0 -138.57 158.53 44.07 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.06 0.457 . . . . 0.0 110.809 179.752 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.36 123.92 29.54 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.562 -179.572 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -74.46 133.71 42.35 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 178.516 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -85.85 -11.2 53.96 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.265 0.469 . . . . 0.0 112.265 -178.46 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 29.2 t -67.76 -22.53 65.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.667 0.27 . . . . 0.0 111.237 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.96 -159.46 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.748 -179.507 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.19 -59.34 0.49 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.16 -179.897 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 11.0 p80 -87.34 -172.38 3.9 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.516 -179.011 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 84.2 mt -131.95 76.28 1.69 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.811 178.961 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -137.38 110.55 7.82 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.535 -178.969 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 36.1 pt -93.36 170.07 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.998 -179.747 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 15.3 p -85.78 164.79 17.37 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.419 179.572 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.417 ' HB2' ' NH2' ' A' ' 78' ' ' ARG . 0.7 OUTLIER -63.95 -36.73 84.9 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.963 0.411 . . . . 0.0 110.42 179.528 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -50.07 -61.96 1.85 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.329 -179.886 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 10.3 m80 -62.65 -34.67 77.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.548 -179.152 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.421 ' O ' ' HB2' ' A' ' 120' ' ' GLN . 14.8 ttpp -57.65 -52.98 63.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.911 0.386 . . . . 0.0 110.2 179.54 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 31.1 t-20 -66.34 -38.1 86.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.303 -179.603 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 6.3 tt -61.11 -42.66 98.93 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.929 -179.038 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 66.4 mt -87.17 -51.19 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 113.414 0.894 . . . . 0.0 113.414 -177.814 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.421 ' HB2' ' O ' ' A' ' 116' ' ' LYS . 0.7 OUTLIER -58.37 -41.98 85.96 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 -178.037 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 73.5 m . . . . . 0 C--N 1.325 -0.498 0 N-CA-C 114.76 1.393 . . . . 0.0 114.76 -175.876 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 70.9 mm-40 . . . . . 0 CA--C 1.523 -0.094 0 CA-C-O 121.314 0.578 . . . . 0.0 112.077 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 65.1 mt -125.96 -179.36 4.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.478 179.747 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.457 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 51.6 t -79.28 135.84 36.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.803 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.438 ' HA ' ' NH1' ' A' ' 75' ' ' ARG . 25.8 m -96.04 19.18 12.02 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 -179.289 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.421 HD11 ' ND1' ' A' ' 115' ' ' HIS . 96.2 mt -100.22 163.66 12.3 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 178.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 22.8 mtp180 -130.21 112.84 13.75 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.804 0.335 . . . . 0.0 111.32 -179.618 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -94.79 89.64 5.76 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.767 179.007 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 63.97 46.95 3.6 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.77 -179.119 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 86.28 -13.83 56.26 Favored Glycine 0 C--N 1.331 0.282 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.964 179.856 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -88.52 123.91 33.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.725 0.263 . . . . 0.0 110.898 -179.813 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.549 ' O ' ' N ' ' A' ' 77' ' ' GLY . 3.5 mmm180 -76.74 57.64 1.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.532 -179.496 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . 0.457 ' HB3' ' HB3' ' A' ' 67' ' ' CYS . 2.9 t 47.27 -71.84 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 179.781 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.549 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 90.87 27.73 18.18 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.948 -0.644 . . . . 0.0 111.674 -179.343 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 59.8 ttt85 -129.71 142.82 50.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.919 0.39 . . . . 0.0 110.945 -179.607 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.07 145.76 29.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.677 -179.613 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.27 164.61 4.1 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.11 179.239 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -119.82 -122.11 2.99 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.125 -1.036 . . . . 0.0 113.992 -178.833 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -120.95 -41.57 2.54 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 -178.201 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.3 167.93 7.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.184 0.516 . . . . 0.0 111.905 -179.067 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 62.9 m -131.22 153.34 49.59 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.466 179.62 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -66.94 138.06 57.0 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 179.295 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 88.6 p -143.93 -169.59 3.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.782 0.325 . . . . 0.0 111.288 -179.243 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -78.9 -48.46 14.58 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.416 178.961 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.6 -38.09 52.94 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.538 -179.669 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.404 ' O ' HG13 ' A' ' 93' ' ' ILE . 51.8 mt -68.72 -35.75 71.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 178.857 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -64.79 -44.77 88.88 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-O 121.541 0.686 . . . . 0.0 109.476 178.502 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.72 -41.52 95.42 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 114.914 -1.039 . . . . 0.0 110.246 179.057 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 29.2 t -63.64 -44.92 92.43 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.281 178.981 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.404 HG13 ' O ' ' A' ' 89' ' ' ILE . 95.6 mt -56.92 -49.96 77.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 178.677 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 31.2 t -54.29 -49.63 69.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.184 -179.938 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -49.88 -31.88 13.16 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 121.229 0.538 . . . . 0.0 110.162 179.68 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.0 mmtp -90.53 -35.71 14.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.058 178.858 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 63.17 58.21 1.47 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.569 -179.114 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 17.6 m -105.22 171.18 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.357 -179.398 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 43.6 mttm -84.83 50.05 1.84 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.423 -179.796 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 60.8 mt -128.72 110.11 20.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.916 179.312 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -145.99 151.37 37.67 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.365 179.815 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 50.3 tp -61.65 141.45 57.81 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.203 0.525 . . . . 0.0 111.69 -179.562 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -92.59 141.59 28.32 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.358 -0.978 . . . . 0.0 108.358 178.153 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -83.81 -12.37 55.73 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -178.967 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.7 p -72.46 -16.54 61.81 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 121.03 -0.268 . . . . 0.0 111.085 179.755 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -82.51 175.24 10.36 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 121.053 0.454 . . . . 0.0 111.765 -179.528 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 29.6 mtt180 -124.62 -68.16 0.87 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.088 -179.457 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 24.6 p80 -63.15 -173.3 0.05 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.003 -179.716 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 49.6 mt -144.59 80.01 1.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.189 0.519 . . . . 0.0 110.345 179.129 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -142.62 102.99 4.16 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.875 -179.6 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 36.6 pt -83.92 170.12 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.97 -179.892 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 11.8 p -80.26 172.27 13.99 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.396 179.606 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -73.4 -36.84 66.07 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.062 0.458 . . . . 0.0 110.384 179.52 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 78.1 t80 -52.82 -57.5 9.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.452 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . 0.421 ' ND1' HD11 ' A' ' 69' ' ' LEU . 16.3 m170 -66.84 -38.29 86.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.647 -179.399 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.24 -50.67 68.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.045 0.45 . . . . 0.0 110.538 179.613 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -70.1 -39.87 75.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.832 -179.753 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 8.2 tt -61.19 -38.36 86.27 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.952 -0.567 . . . . 0.0 112.044 -178.972 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 72.3 mt -90.7 -45.54 14.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 113.218 0.821 . . . . 0.0 113.218 -177.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -50.68 -43.75 57.56 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 -178.471 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 N-CA-C 114.865 1.432 . . . . 0.0 114.865 -175.594 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 121.298 0.571 . . . . 0.0 111.721 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 87.9 mt -114.15 151.44 32.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.428 179.552 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.405 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 46.5 t -56.51 139.32 49.82 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.803 179.728 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 2.0 m -102.92 27.21 7.27 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 112.219 0.452 . . . . 0.0 112.219 -179.304 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 94.5 mt -113.68 163.06 15.48 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 178.183 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.424 ' HA ' ' O ' ' A' ' 74' ' ' GLU . 31.4 mtp180 -128.66 108.78 10.77 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.886 -0.326 . . . . 0.0 111.433 -179.751 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -99.24 106.43 18.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.057 179.183 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 66.47 42.04 3.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.846 -179.161 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 78.52 -6.65 51.94 Favored Glycine 0 CA--C 1.52 0.346 0 C-N-CA 120.956 -0.64 . . . . 0.0 113.412 179.624 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.424 ' O ' ' HA ' ' A' ' 70' ' ' ARG . 5.5 mm-40 -96.05 135.29 38.02 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 117.095 0.448 . . . . 0.0 111.022 -179.628 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.536 ' O ' ' N ' ' A' ' 77' ' ' GLY . 15.5 mmm-85 -82.39 54.84 2.71 Favored 'General case' 0 C--O 1.225 -0.207 0 C-N-CA 120.841 -0.344 . . . . 0.0 111.405 -179.339 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . 0.405 ' HB3' ' HB3' ' A' ' 67' ' ' CYS . 0.5 OUTLIER 49.03 -64.23 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 179.539 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.536 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 90.87 -13.68 65.32 Favored Glycine 0 N--CA 1.449 -0.466 0 N-CA-C 111.336 -0.706 . . . . 0.0 111.336 -178.388 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 20.5 ttt180 -84.71 163.19 19.34 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 120.72 0.295 . . . . 0.0 110.361 179.769 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -83.2 152.12 25.36 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.595 -179.437 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.81 153.59 41.84 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.004 178.939 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -114.99 -131.38 5.04 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.203 -0.999 . . . . 0.0 114.109 -178.547 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -104.32 -29.26 10.88 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -178.177 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.444 ' HB1' ' CD ' ' A' ' 116' ' ' LYS . . . -62.95 172.85 1.56 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.098 0.475 . . . . 0.0 111.747 -179.395 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.7 m -146.22 138.67 25.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.859 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -59.55 126.5 27.88 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 178.924 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 86.6 p -130.76 -171.73 2.64 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.075 0.464 . . . . 0.0 111.526 -179.161 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 46.4 mttp -77.69 -46.82 20.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.964 178.991 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.9 -34.45 54.94 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.118 179.279 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.402 HG22 HG22 ' A' ' 119' ' ' ILE . 19.2 mt -71.59 -45.32 68.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 178.955 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -55.64 -47.73 76.14 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 178.093 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 15.4 mmtm -60.35 -47.29 86.7 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 114.316 -1.311 . . . . 0.0 110.073 178.398 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 13.9 t -54.29 -39.66 67.16 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.487 179.738 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 74.9 mt -76.21 -35.98 29.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.098 179.202 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 26.0 t -54.41 -44.22 72.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.212 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 35.9 tp60 -71.17 -6.76 41.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.074 179.655 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.2 mmmm -106.76 -56.57 2.18 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 121.031 0.443 . . . . 0.0 110.49 179.223 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 75.53 71.52 0.09 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.576 -178.9 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 18.1 m -118.37 174.28 4.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.523 -179.123 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -77.75 61.14 2.37 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.155 -179.628 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 82.6 mt -138.93 106.88 3.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.231 179.269 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -132.62 144.36 50.3 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.647 -179.919 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.2 tp -68.59 134.3 49.77 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.728 -179.534 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -74.02 134.32 43.02 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 177.881 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 24.3 mtmm -86.38 -29.88 22.58 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.984 -0.286 . . . . 0.0 111.674 -178.827 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 14.5 p -71.07 -6.8 41.88 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.642 179.769 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -65.47 176.41 1.45 Allowed 'General case' 0 C--O 1.23 0.077 0 CA-C-O 121.162 0.505 . . . . 0.0 111.841 -179.541 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -127.44 -40.0 1.82 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.286 179.951 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 9.1 p80 -105.99 161.46 14.45 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.98 -0.555 . . . . 0.0 112.154 -178.237 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 73.9 mt -118.54 70.28 0.81 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.294 179.241 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -139.94 106.45 5.32 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.373 -179.703 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 25.6 pt -83.27 179.21 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.826 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 7.7 p -92.44 174.18 7.41 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.247 179.407 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -69.61 -32.43 71.15 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.105 0.479 . . . . 0.0 110.421 179.739 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -55.23 -62.2 1.82 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.68 -179.641 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 24.5 m80 -64.76 -34.87 79.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.452 -179.321 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.444 ' CD ' ' HB1' ' A' ' 83' ' ' ALA . 10.8 ttpp -57.7 -52.93 63.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.918 0.39 . . . . 0.0 110.375 179.78 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -68.74 -35.92 77.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.294 -179.439 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 3.3 tt -65.87 -40.94 92.12 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.695 -179.172 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.402 HG22 HG22 ' A' ' 89' ' ' ILE . 73.7 mt -85.57 -40.62 14.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 -177.966 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.408 ' HB2' ' O ' ' A' ' 116' ' ' LYS . 5.3 mt-30 -62.27 -37.59 86.07 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -178.601 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 69.5 m . . . . . 0 C--N 1.326 -0.418 0 N-CA-C 115.21 1.559 . . . . 0.0 115.21 -176.035 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 . . . . . 0 CA--C 1.522 -0.12 0 CA-C-O 121.183 0.516 . . . . 0.0 112.02 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 70.3 mt -107.64 163.2 13.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.474 179.277 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.46 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 48.5 t -61.67 145.34 52.59 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.96 179.836 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 34.0 m -106.63 29.2 7.14 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -179.334 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 84.1 mt -119.55 170.94 8.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.746 0.308 . . . . 0.0 110.27 178.428 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.437 ' HG2' ' HD2' ' A' ' 75' ' ' ARG . 12.0 mtp180 -135.8 111.54 9.38 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.218 -179.764 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 54.8 tt0 -91.89 107.73 19.42 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 178.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 60.49 21.17 10.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.685 -179.197 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 106.21 -14.75 43.77 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.706 -0.759 . . . . 0.0 113.294 179.503 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -88.1 137.89 31.93 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.267 0.555 . . . . 0.0 111.947 -179.363 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.498 ' O ' ' N ' ' A' ' 77' ' ' GLY . 43.6 mmm-85 -80.38 61.75 4.26 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.195 -0.911 . . . . 0.0 111.952 -178.9 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . 0.46 ' HB3' ' HB3' ' A' ' 67' ' ' CYS . 2.8 t 34.9 -82.96 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 178.763 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 115.81 -14.97 16.89 Favored Glycine 0 C--N 1.336 0.542 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.494 -179.156 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -88.43 159.2 18.11 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.718 0.294 . . . . 0.0 110.64 179.924 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.3 153.84 42.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.977 0.418 . . . . 0.0 111.923 -179.605 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -85.92 137.26 32.86 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.043 179.001 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -104.55 -153.63 22.6 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.482 -0.866 . . . . 0.0 113.956 -178.64 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -78.93 -4.6 50.64 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -178.966 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -81.03 151.11 28.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.973 0.416 . . . . 0.0 111.639 -179.448 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.6 m -127.11 151.49 48.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.521 179.675 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -78.35 141.67 38.25 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 178.989 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 16.1 p -149.28 -174.87 4.78 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.036 0.446 . . . . 0.0 111.857 -178.967 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.5 mmtm -71.07 -42.4 69.46 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.27 179.555 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -54.67 -45.35 73.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.179 179.181 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.411 ' O ' HG13 ' A' ' 93' ' ' ILE . 44.7 mt -64.67 -37.61 80.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.925 179.225 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -60.62 -51.69 68.32 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-O 121.735 0.779 . . . . 0.0 109.065 178.353 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.1 mmpp? -58.39 -43.98 88.74 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 114.417 -1.265 . . . . 0.0 109.981 178.705 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 43.9 t -58.89 -39.72 82.31 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.439 179.378 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.411 HG13 ' O ' ' A' ' 89' ' ' ILE . 61.6 mt -73.13 -36.57 50.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.077 0.465 . . . . 0.0 110.153 179.197 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 36.5 t -57.44 -43.31 83.81 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.975 179.941 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 -58.64 -44.38 90.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.993 0.425 . . . . 0.0 110.07 179.566 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 43.6 mttp -70.19 -34.74 73.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.119 179.077 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 46.2 tptt 59.57 56.74 3.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.338 -178.764 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 31.5 m -105.53 174.55 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.592 -179.212 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -87.02 62.65 7.5 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.358 -179.699 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 77.2 mt -137.15 115.34 14.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.279 179.308 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -137.1 162.94 32.02 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.765 -179.872 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 19.5 tp -81.13 143.24 32.54 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.308 0.575 . . . . 0.0 111.492 -179.896 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -95.84 139.0 32.69 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 177.294 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -89.34 -3.24 58.55 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -178.726 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 59.5 p -76.62 -35.1 58.27 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.805 0.336 . . . . 0.0 111.24 -179.759 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -48.05 150.57 1.14 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.048 0.452 . . . . 0.0 111.875 -179.271 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -92.58 -23.3 19.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.053 179.711 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 13.0 p80 -130.17 -171.53 2.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.146 -179.288 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 85.9 mt -131.67 88.63 2.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.519 179.191 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -147.25 127.47 13.84 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.419 179.617 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 38.0 pt -105.91 170.73 2.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.86 179.914 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 23.0 p -86.93 168.56 13.27 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.511 179.61 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -69.28 -29.48 67.37 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.078 0.466 . . . . 0.0 110.364 179.592 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -55.53 -61.6 2.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.399 -179.941 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 22.8 m80 -63.88 -40.01 95.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.698 -179.418 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 18.2 ttpp -52.31 -53.71 40.84 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.038 0.447 . . . . 0.0 110.7 -179.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -63.75 -42.95 97.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.979 -179.833 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 3.7 tt -58.86 -42.5 89.55 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.726 -179.401 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 61.6 mt -82.81 -48.55 17.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 113.256 0.836 . . . . 0.0 113.256 -178.036 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.71 -33.87 75.75 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 -178.012 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 61.0 m . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 115.106 1.521 . . . . 0.0 115.106 -176.252 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 . . . . . 0 CA--C 1.52 -0.173 0 CA-C-O 120.919 0.39 . . . . 0.0 110.767 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -114.53 166.12 12.04 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.596 179.462 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 49.4 t -55.75 138.05 48.53 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.34 -0.846 . . . . 0.0 111.431 -179.7 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 22.4 p -102.1 24.61 9.86 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.938 0.399 . . . . 0.0 111.144 179.846 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 32.3 mt -126.08 159.7 32.1 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 179.326 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.443 ' HG2' ' HD3' ' A' ' 75' ' ' ARG . 8.2 mtp-105 -130.44 109.47 10.74 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.163 -179.779 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -90.49 120.13 31.33 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 179.07 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 57.57 32.67 22.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.51 -179.074 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 84.24 -2.76 87.44 Favored Glycine 0 CA--C 1.52 0.345 0 C-N-CA 120.99 -0.624 . . . . 0.0 113.292 179.516 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -99.79 135.29 41.44 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 117.131 0.465 . . . . 0.0 111.207 -179.806 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.495 ' O ' ' N ' ' A' ' 77' ' ' GLY . 1.7 tpp85 -74.72 58.02 0.79 Allowed 'General case' 0 N--CA 1.462 0.13 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.71 -179.197 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 7.4 t 46.54 -79.39 0.0 OUTLIER 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 179.571 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 117.85 -28.02 7.22 Favored Glycine 0 C--N 1.331 0.301 0 C-N-CA 120.954 -0.641 . . . . 0.0 111.525 -179.068 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 27.6 ttt180 -86.4 132.48 33.94 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 179.149 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.27 164.5 0.45 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.934 0.397 . . . . 0.0 111.708 -178.833 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.4 165.18 25.07 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.507 -179.682 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -129.76 -149.82 6.84 Favored Glycine 0 C--N 1.334 0.454 0 C-N-CA 120.481 -0.866 . . . . 0.0 113.681 -179.244 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -83.56 -40.81 18.64 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -178.686 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -55.13 161.87 1.58 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.1 0.476 . . . . 0.0 111.661 -179.245 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -127.53 171.22 11.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.236 179.608 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -95.11 108.33 20.43 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 178.845 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 38.4 p -112.38 -170.14 1.61 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.688 -178.594 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.4 -45.87 24.51 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.433 179.744 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.78 -45.0 66.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.248 179.392 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 76.8 mt -62.86 -34.5 66.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 179.105 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -68.45 -52.33 33.77 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-O 121.613 0.72 . . . . 0.0 109.376 178.74 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.33 -41.77 63.27 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 114.758 -1.11 . . . . 0.0 110.083 179.135 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.419 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 36.6 m -61.6 -52.57 63.84 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 178.746 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 97.3 mt -53.33 -35.39 24.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.11 179.053 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 50.8 m -69.3 -35.87 76.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.135 -179.722 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.405 ' HA ' ' NE2' ' A' ' 95' ' ' GLN . 7.3 tp-100 -77.51 -46.12 23.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.227 179.416 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.419 ' HG3' ' O ' ' A' ' 92' ' ' SER . 3.4 mtpm? -63.15 -37.99 89.41 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 121.209 0.528 . . . . 0.0 109.643 178.723 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? 66.73 80.2 0.22 Allowed 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.674 -179.187 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 27.0 m -134.34 157.23 41.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.147 -179.089 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.3 mmmm -76.94 58.13 1.44 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.208 -179.807 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 53.8 mt -131.29 108.95 15.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.139 179.428 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -130.53 168.69 16.64 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.659 -179.833 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 36.7 tp -82.14 132.04 35.24 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.199 0.523 . . . . 0.0 110.852 179.544 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 59.6 t0 -91.52 126.15 36.51 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 179.487 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 46.3 mttp -74.85 -17.37 60.61 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -178.588 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.15 -28.22 66.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.923 0.392 . . . . 0.0 110.487 179.653 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -68.23 139.98 56.04 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.521 -179.625 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -101.89 39.68 1.43 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.588 -179.945 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 26.4 p80 -177.91 -179.21 0.74 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.638 -179.574 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 91.4 mt -129.45 92.34 3.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.341 179.301 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -153.05 126.38 8.63 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.534 179.762 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 41.6 pt -108.7 164.5 5.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.765 179.847 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 8.3 p -80.55 166.43 21.16 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.523 179.528 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -68.39 -34.12 75.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.092 0.473 . . . . 0.0 110.378 179.929 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -52.73 -54.9 27.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.314 179.921 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 14.1 m170 -69.07 -37.28 78.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.727 -179.44 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 5.9 ttpp -55.21 -51.25 67.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.046 0.45 . . . . 0.0 110.552 179.592 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -71.81 -34.1 69.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.188 -179.751 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 6.7 tt -68.04 -31.06 70.46 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.606 -179.301 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 77.9 mt -93.57 -45.79 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 -178.019 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -67.21 -41.22 86.17 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 -178.072 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 12.8 m . . . . . 0 C--N 1.328 -0.346 0 N-CA-C 114.923 1.453 . . . . 0.0 114.923 -175.462 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 . . . . . 0 N--CA 1.455 -0.216 0 CA-C-O 120.885 0.374 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 45.5 mt -107.05 149.82 27.17 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.828 -179.842 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.443 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 12.9 t -48.05 127.23 12.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.691 179.595 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 35.9 m -90.7 32.42 0.98 Allowed 'General case' 0 N--CA 1.462 0.142 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -178.9 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 82.6 mt -112.65 163.11 14.93 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 178.349 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 29.3 mtp180 -130.9 143.83 51.02 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.8 0.333 . . . . 0.0 111.033 -179.702 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -125.33 109.32 12.64 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.34 179.26 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 58.73 43.38 18.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.51 -179.524 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 74.65 0.19 58.17 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.862 -0.685 . . . . 0.0 113.036 -179.852 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -113.01 127.1 56.14 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 121.008 0.432 . . . . 0.0 111.218 -179.752 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.69 159.23 3.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.801 -179.28 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . 0.443 ' HB3' ' HB3' ' A' ' 67' ' ' CYS . 25.9 t -70.89 -54.57 10.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.078 179.098 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 92.43 -32.06 5.72 Favored Glycine 0 C--N 1.33 0.247 0 C-N-CA 120.791 -0.718 . . . . 0.0 113.103 179.23 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.433 ' HD3' ' HB2' ' A' ' 112' ' ' CYS . 34.3 ttt-85 -68.33 144.26 54.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.842 0.353 . . . . 0.0 110.621 -179.812 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.84 155.83 7.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.647 -179.568 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.94 152.59 40.07 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.196 179.281 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -108.61 -147.44 12.58 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.427 -0.892 . . . . 0.0 113.773 -178.881 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -105.88 7.1 32.06 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -178.892 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -97.83 178.58 5.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.097 0.475 . . . . 0.0 111.423 -179.537 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.8 p -138.22 159.59 41.64 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.653 179.891 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.477 ' CD2' HD12 ' A' ' 102' ' ' LEU . 76.7 t80 -95.33 123.63 38.95 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.343 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 88.6 p -128.05 -158.86 0.9 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.509 -178.603 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.0 -41.61 25.49 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.422 0.629 . . . . 0.0 110.614 179.361 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.1 ttm-85 -52.32 -49.72 63.68 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.51 -179.109 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 95.3 mt -63.92 -35.9 74.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.67 179.913 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.7 -44.86 92.42 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 178.821 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -62.05 -52.54 63.51 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.785 178.688 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.413 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 8.4 t -52.1 -43.42 63.91 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.024 179.533 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.432 HG22 ' CG2' ' A' ' 98' ' ' VAL . 70.6 mt -60.98 -49.29 85.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.208 179.0 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.7 t -54.97 -48.07 73.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.179 -179.491 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.96 -37.9 89.19 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.033 0.444 . . . . 0.0 109.928 179.635 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.413 ' HG3' ' O ' ' A' ' 92' ' ' SER . 13.9 mtpp -68.96 -28.58 66.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.012 178.668 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.59 76.53 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.822 -179.161 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.432 ' CG2' HG22 ' A' ' 93' ' ' ILE . 29.0 m -135.53 162.82 36.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.1 -179.451 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 32.4 mttp -90.28 71.27 7.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.567 -179.587 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 34.3 mt -138.07 98.84 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.02 0.438 . . . . 0.0 110.311 178.989 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -109.11 160.99 15.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.693 -179.915 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.477 HD12 ' CD2' ' A' ' 85' ' ' PHE . 1.3 tp -78.16 133.11 37.85 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.134 0.492 . . . . 0.0 111.607 -179.786 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -67.84 133.47 49.24 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 177.527 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 9.8 mtmt -101.8 -10.11 20.2 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -178.586 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.7 t -92.82 20.92 6.04 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.699 0.285 . . . . 0.0 110.643 179.586 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -106.93 -169.28 1.52 Allowed 'General case' 0 C--O 1.231 0.106 0 CA-C-O 120.949 0.404 . . . . 0.0 111.578 -179.426 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 15.7 mtp85 -126.53 -70.41 0.73 Allowed 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.238 -179.61 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 29.1 p80 -75.14 -172.01 1.56 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.44 -179.005 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 62.2 mt -138.6 81.18 1.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.863 179.134 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -138.45 115.57 10.97 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.858 -179.548 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 32.9 pt -99.25 166.1 2.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.028 -179.701 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . 0.433 ' HB2' ' HD3' ' A' ' 78' ' ' ARG . 9.5 p -73.32 164.62 26.42 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.765 179.755 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.46 ' N ' ' OD1' ' A' ' 113' ' ' ASP . 0.4 OUTLIER -65.93 -39.52 90.6 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.279 0.561 . . . . 0.0 110.028 179.735 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -50.0 -56.35 11.04 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.171 -0.922 . . . . 0.0 111.449 -179.899 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 5.8 m170 -69.68 -29.17 66.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.679 -179.364 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.435 ' O ' ' HB2' ' A' ' 120' ' ' GLN . 13.0 ttpp -62.95 -54.55 36.64 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.462 179.78 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.53 -42.71 78.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.996 -179.6 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 5.4 tt -58.75 -47.8 83.42 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.171 -179.0 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 79.1 mt -80.16 -39.73 19.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 113.55 0.945 . . . . 0.0 113.55 -177.8 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.435 ' HB2' ' O ' ' A' ' 116' ' ' LYS . 39.7 mt-30 -70.33 -40.83 73.92 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 -178.349 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 2.7 t . . . . . 0 C--N 1.328 -0.358 0 N-CA-C 115.013 1.486 . . . . 0.0 115.013 -174.856 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.841 0.353 . . . . 0.0 110.504 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.408 HD12 ' HA ' ' A' ' 79' ' ' ALA . 1.7 mp -139.01 138.58 37.36 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.305 0.574 . . . . 0.0 112.018 179.66 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 38.4 t -43.77 146.36 0.57 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 114.962 -1.017 . . . . 0.0 111.408 -179.821 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 17.7 p -106.84 20.52 18.91 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.384 179.887 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 94.6 mt -106.09 163.19 12.97 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 178.824 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 54.0 mtt-85 -127.9 120.16 27.11 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.249 -179.55 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 64.0 tt0 -103.49 117.59 34.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.087 178.958 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 55.46 38.15 29.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.774 -179.413 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 79.84 -6.97 57.3 Favored Glycine 0 CA--C 1.52 0.352 0 C-N-CA 120.866 -0.683 . . . . 0.0 113.217 179.671 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.401 ' O ' ' N ' ' A' ' 76' ' ' CYS . 70.5 mm-40 -93.72 127.16 39.29 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 117.088 0.444 . . . . 0.0 111.093 -179.71 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.9 tpp85 -65.61 64.89 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.8 -0.636 . . . . 0.0 112.451 -178.791 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . 0.401 ' N ' ' O ' ' A' ' 74' ' ' GLU . 10.5 t 36.66 -92.31 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 178.61 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 121.02 -33.93 4.21 Favored Glycine 0 C--N 1.334 0.441 0 C-N-CA 120.39 -0.91 . . . . 0.0 112.539 -179.552 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 46.7 ttt180 -73.92 152.11 40.23 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 179.269 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.408 ' HA ' HD12 ' A' ' 66' ' ' LEU . . . -73.01 160.11 32.6 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.927 0.394 . . . . 0.0 111.648 -178.78 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.27 166.32 21.82 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.606 -179.559 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -122.71 -125.9 3.12 Favored Glycine 0 CA--C 1.52 0.368 0 C-N-CA 120.484 -0.865 . . . . 0.0 113.696 -179.099 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -117.09 -4.96 11.42 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 112.68 0.622 . . . . 0.0 112.68 -178.295 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -94.62 168.2 10.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.101 0.477 . . . . 0.0 111.774 -179.395 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -131.65 170.53 14.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.26 179.667 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -90.54 133.93 34.73 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 179.222 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 60.2 p -137.92 -163.74 1.5 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.985 0.421 . . . . 0.0 111.175 -179.196 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.6 mmtm -80.25 -49.24 11.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.758 178.617 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -51.54 -41.67 61.23 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.789 -179.337 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.417 ' O ' HG13 ' A' ' 93' ' ' ILE . 55.4 mt -65.87 -44.31 92.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.151 179.436 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 16.4 tm0? -55.54 -51.45 67.02 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.076 0.465 . . . . 0.0 109.968 179.052 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.3 tmtp? -62.81 -42.5 99.74 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.693 179.325 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.407 ' OG ' ' NZ ' ' A' ' 96' ' ' LYS . 29.1 t -57.59 -32.67 67.41 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.053 178.854 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.417 HG13 ' O ' ' A' ' 89' ' ' ILE . 96.7 mt -75.64 -46.53 36.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.945 179.014 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.404 ' O ' ' HG3' ' A' ' 97' ' ' LYS . 25.8 t -54.07 -46.48 71.99 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.183 -179.89 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 37.1 tp60 -63.82 -28.06 69.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.977 0.418 . . . . 0.0 110.058 179.678 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.407 ' NZ ' ' OG ' ' A' ' 92' ' ' SER . 35.3 mttp -80.25 -43.39 21.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.34 179.059 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.404 ' HG3' ' O ' ' A' ' 94' ' ' SER . 8.6 mttp 71.21 85.11 0.13 Allowed 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.53 -178.568 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 22.0 m -142.03 159.52 20.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.093 -179.259 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 51.7 mttm -79.95 55.12 2.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.438 -179.617 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 73.3 mt -119.12 103.36 14.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.198 -0.455 . . . . 0.0 109.893 179.354 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -118.82 163.78 16.38 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.842 -179.835 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 19.7 tp -92.01 136.53 33.09 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.077 -179.886 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 58.6 t0 -87.22 121.78 30.12 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 179.204 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 3.5 mtmm -82.27 -11.54 58.58 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -178.641 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.3 m -84.0 4.86 27.99 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.65 0.262 . . . . 0.0 110.848 178.917 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -69.27 178.38 2.39 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-O 121.354 0.597 . . . . 0.0 112.086 -179.042 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -122.0 -5.89 8.99 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.113 -0.949 . . . . 0.0 111.289 -179.788 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 20.3 p80 -154.55 -172.19 4.11 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 120.714 0.292 . . . . 0.0 110.296 -179.707 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 35.5 mt -135.84 80.47 1.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.266 0.555 . . . . 0.0 109.907 178.787 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -137.8 133.25 33.79 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.545 -179.154 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 32.2 pt -115.97 141.84 31.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.081 -179.686 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 5.8 p -61.64 152.46 30.69 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.433 179.522 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -56.08 -29.93 61.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.077 0.465 . . . . 0.0 110.254 179.797 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -55.56 -61.26 2.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.36 -179.935 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 22.2 m170 -66.53 -39.75 88.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.793 -179.383 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 5.3 ttpp -55.31 -53.09 60.52 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.01 0.433 . . . . 0.0 110.534 179.803 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 34.5 t-20 -66.17 -42.94 88.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.995 -179.63 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 5.0 tt -57.22 -37.37 72.13 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.808 -179.309 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 59.5 mt -89.52 -40.75 13.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 -177.687 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -66.23 -43.51 86.41 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 113.524 0.935 . . . . 0.0 113.524 -178.151 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 77.0 p . . . . . 0 N--CA 1.468 0.431 0 N-CA-C 114.592 1.33 . . . . 0.0 114.592 -175.808 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 . . . . . 0 N--CA 1.455 -0.219 0 CA-C-O 120.772 0.32 . . . . 0.0 110.498 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 82.2 mt -116.41 173.75 6.43 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.03 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 18.5 t -74.16 144.57 44.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.524 179.606 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 31.4 p -107.8 37.24 2.49 Favored 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -179.229 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 46.5 mt -125.79 155.48 41.01 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 178.672 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.423 ' HG2' ' HD2' ' A' ' 75' ' ' ARG . 14.2 mtp180 -125.31 120.16 30.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.895 0.379 . . . . 0.0 111.225 -179.78 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -101.68 109.64 21.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.039 179.158 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 54.24 30.28 12.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.615 -179.232 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 95.81 -9.21 68.42 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.844 -0.694 . . . . 0.0 113.228 179.687 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -85.21 125.47 32.88 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 117.038 0.419 . . . . 0.0 111.293 -179.536 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.423 ' HD2' ' HG2' ' A' ' 70' ' ' ARG . 12.3 mmm180 -80.83 60.33 4.04 Favored 'General case' 0 CA--C 1.528 0.133 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.646 -179.33 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 7.6 t 31.89 -87.61 0.0 OUTLIER 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 179.224 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 113.75 -20.61 17.47 Favored Glycine 0 C--N 1.335 0.516 0 C-N-CA 120.51 -0.852 . . . . 0.0 112.737 -179.455 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 59.9 ttt85 -80.16 143.88 33.48 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.824 0.345 . . . . 0.0 110.537 179.849 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.65 154.07 18.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.824 -179.419 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.85 146.07 46.48 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.083 179.053 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -108.73 -126.54 5.38 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.326 -0.94 . . . . 0.0 114.005 -178.625 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -117.01 12.14 14.5 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -178.183 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.416 ' HB3' ' HD3' ' A' ' 116' ' ' LYS . . . -106.51 136.82 45.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.053 0.454 . . . . 0.0 111.698 -179.422 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 38.8 p -107.83 150.55 26.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.443 179.456 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -75.67 122.47 24.02 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 179.043 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 77.0 p -128.85 -168.72 1.96 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.065 0.46 . . . . 0.0 111.425 -179.25 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.6 mtpm? -78.22 -40.94 35.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.898 179.007 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.04 -37.37 69.15 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.337 179.566 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.405 ' O ' HG13 ' A' ' 93' ' ' ILE . 16.2 mt -71.03 -35.11 57.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 178.604 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -63.11 -44.17 96.38 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.207 0.527 . . . . 0.0 109.681 179.032 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.1 tmtm? -65.58 -43.15 90.64 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.846 179.051 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 31.2 t -57.98 -43.14 86.35 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.054 178.967 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 89' ' ' ILE . 96.7 mt -64.43 -45.82 94.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.917 179.119 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 13.7 t -55.13 -44.45 75.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.008 179.898 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -63.14 -19.87 64.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.773 179.377 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.412 ' HE3' ' HA ' ' A' ' 119' ' ' ILE . 3.9 mtpm? -97.09 -35.65 10.74 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.196 0.522 . . . . 0.0 109.975 178.97 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? 59.31 75.85 0.38 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.61 -178.472 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 25.3 m -121.61 170.15 12.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.187 -179.145 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 4.4 mmtm -85.89 45.75 1.24 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.433 -179.742 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 72.3 mt -117.13 108.73 25.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.842 0.353 . . . . 0.0 110.11 179.465 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -123.17 162.2 22.99 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.096 -179.13 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 19.7 tp -82.65 141.86 32.16 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.187 179.942 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -89.33 134.53 34.02 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 178.213 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.2 mmpp? -84.98 -24.02 28.45 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 111.817 0.303 . . . . 0.0 111.817 -178.621 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 52.2 p -66.36 -21.71 66.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.738 0.304 . . . . 0.0 111.192 -179.857 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -65.79 149.29 50.4 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.099 0.476 . . . . 0.0 111.748 -179.463 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -106.55 -38.74 6.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.712 -179.707 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 16.2 p80 -91.18 168.58 11.51 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.522 -179.303 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 53.3 mt -125.89 73.96 1.39 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.155 179.443 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -143.89 134.15 24.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.363 179.835 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 32.6 pt -116.83 164.66 12.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.927 179.966 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 13.8 p -74.71 170.43 15.85 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.543 179.681 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -71.93 -35.21 69.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.175 0.512 . . . . 0.0 110.2 179.81 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -48.97 -61.1 2.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.476 -179.896 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 17.1 m80 -65.17 -35.07 79.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.813 -179.339 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.416 ' HD3' ' HB3' ' A' ' 83' ' ' ALA . 11.1 ttpp -56.65 -46.58 80.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.928 0.394 . . . . 0.0 110.602 179.849 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -74.15 -38.39 63.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.121 -179.688 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.0 tt -64.2 -36.14 83.1 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.514 -179.51 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.412 ' HA ' ' HE3' ' A' ' 96' ' ' LYS . 72.7 mt -89.42 -44.01 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 -177.938 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -65.86 -38.85 89.92 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 -178.376 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 19.2 m . . . . . 0 C--N 1.327 -0.397 0 N-CA-C 115.015 1.487 . . . . 0.0 115.015 -175.896 . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 . . . . . 0 N--CA 1.455 -0.177 0 CA-C-O 120.712 0.291 . . . . 0.0 110.292 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.95 148.82 34.21 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.141 0.496 . . . . 0.0 111.449 179.471 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 46.3 t -45.89 139.28 4.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.346 -179.735 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 32.0 p -102.87 27.18 7.27 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.96 0.409 . . . . 0.0 111.177 -179.976 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 57.7 mt -117.96 154.86 31.24 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 179.011 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 22.3 mtp180 -122.99 116.31 23.34 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.25 -179.163 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 65.7 tt0 -97.37 110.38 22.95 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 178.893 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 66.23 29.66 9.54 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.59 -178.911 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 93.7 -17.48 58.51 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.89 -0.671 . . . . 0.0 113.075 179.474 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -90.16 136.23 33.18 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.912 0.387 . . . . 0.0 111.489 -179.541 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 77' ' ' GLY . 14.8 tpp85 -73.24 63.38 0.72 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.769 -0.65 . . . . 0.0 112.67 -178.406 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 10.4 t 43.79 -85.72 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 178.406 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 114.41 -2.14 23.62 Favored Glycine 0 C--N 1.334 0.42 0 C-N-CA 120.48 -0.866 . . . . 0.0 112.939 -179.485 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 65.0 ttt180 -104.86 142.49 34.65 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 179.358 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.25 141.3 58.82 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.063 0.458 . . . . 0.0 111.839 -178.788 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -54.43 157.29 2.89 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.267 -179.823 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -112.81 -128.33 4.92 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.595 -0.812 . . . . 0.0 113.786 -179.065 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -117.16 10.09 13.74 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -178.371 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.439 ' HB2' ' CD ' ' A' ' 116' ' ' LYS . . . -105.6 168.06 9.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.147 0.499 . . . . 0.0 111.694 -179.405 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 59.8 p -135.12 137.99 43.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.67 179.693 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -61.7 129.49 41.31 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 179.092 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 56.4 p -134.41 -163.77 1.42 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.09 0.471 . . . . 0.0 111.478 -179.079 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.46 ' NZ ' ' HB2' ' A' ' 87' ' ' LYS . 1.0 OUTLIER -78.08 -47.9 17.26 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.499 179.402 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.6 tmm_? -51.89 -46.24 64.46 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.288 179.928 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.408 ' O ' HG13 ' A' ' 93' ' ' ILE . 33.0 mt -62.8 -31.85 53.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 178.956 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -68.76 -45.65 70.87 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 178.381 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.6 mmtm -60.84 -40.12 91.65 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 114.818 -1.083 . . . . 0.0 109.856 178.73 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.6 t -65.84 -49.29 68.72 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.272 179.234 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.408 HG13 ' O ' ' A' ' 89' ' ' ILE . 64.2 mt -64.24 -32.12 56.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.184 179.213 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 38.5 m -67.49 -49.48 63.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.066 -179.966 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -67.56 -34.35 76.89 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 179.49 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.8 mtpm? -65.3 -41.41 94.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.287 0.565 . . . . 0.0 109.84 178.551 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 16.5 tttp 62.99 67.7 0.67 Allowed 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.346 -178.611 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 11.4 m -121.06 178.75 2.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.134 -0.939 . . . . 0.0 111.232 -179.243 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 6.5 mttp -95.42 45.67 1.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.581 -179.542 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 69.2 mt -122.28 94.73 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.258 179.059 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -113.82 164.48 13.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.073 0.463 . . . . 0.0 110.948 -179.867 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 12.1 tp -84.65 140.25 31.46 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.201 179.857 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 32.6 t0 -89.73 140.34 29.67 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 177.794 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 22.2 mtmm -98.34 -8.05 27.77 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 -178.472 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 9.1 p -81.85 -4.21 55.93 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 121.047 -0.261 . . . . 0.0 110.937 179.107 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -70.96 163.82 26.72 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-O 121.264 0.554 . . . . 0.0 112.012 -179.246 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.59 14.36 16.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.641 179.836 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 11.4 p80 -165.16 172.28 12.72 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 120.942 0.401 . . . . 0.0 110.726 -178.973 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 49.8 mt -128.75 87.1 2.53 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.167 178.863 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -147.01 111.72 5.31 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.34 179.927 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 35.4 pt -89.32 173.15 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.964 -179.971 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 9.4 p -88.66 167.6 13.22 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.539 179.621 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -65.6 -35.83 81.95 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.109 0.481 . . . . 0.0 110.32 179.652 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -53.7 -58.88 5.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.325 179.896 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -66.97 -33.7 76.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.734 -179.381 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.439 ' CD ' ' HB2' ' A' ' 83' ' ' ALA . 15.9 ttpp -57.04 -53.09 62.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.95 0.405 . . . . 0.0 110.477 179.707 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -69.57 -42.58 74.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.307 -179.496 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 5.9 tt -56.69 -40.06 74.92 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.598 -179.386 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.404 HG21 HG23 ' A' ' 89' ' ' ILE . 53.6 mt -87.34 -41.35 14.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 -177.789 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -65.75 -40.57 92.23 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 -178.44 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 15.7 p . . . . . 0 N--CA 1.466 0.343 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 -175.775 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 121.12 0.486 . . . . 0.0 111.984 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 24.2 mt -115.96 148.21 40.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.79 -179.89 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 41.4 t -47.82 144.02 3.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 179.732 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 20.4 p -104.07 32.31 4.04 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.823 0.344 . . . . 0.0 111.552 -179.487 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 61.3 mt -119.54 158.73 25.73 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 178.855 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.409 ' HA ' ' O ' ' A' ' 74' ' ' GLU . 36.7 mtp180 -125.56 129.52 49.86 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.745 0.307 . . . . 0.0 111.278 -179.5 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -103.37 100.3 10.17 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 178.838 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 65.37 22.99 12.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.669 -179.0 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 110.1 -20.83 25.69 Favored Glycine 0 C--N 1.333 0.363 0 C-N-CA 120.748 -0.739 . . . . 0.0 113.046 179.64 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.409 ' O ' ' HA ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -82.11 127.75 33.44 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.658 0.266 . . . . 0.0 111.007 -179.361 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.47 ' O ' ' N ' ' A' ' 77' ' ' GLY . 39.4 mmm-85 -73.93 60.14 0.73 Allowed 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -178.875 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.0 t 47.12 -78.38 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 113.419 0.896 . . . . 0.0 113.419 179.004 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 101.24 -2.11 54.4 Favored Glycine 0 CA--C 1.521 0.438 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.674 -178.961 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.44 ' HD3' ' HB2' ' A' ' 112' ' ' CYS . 22.4 ttt85 -104.94 147.15 28.08 Favored 'General case' 0 CA--C 1.529 0.138 0 CA-C-O 120.684 0.278 . . . . 0.0 110.677 179.788 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.424 ' N ' ' HG2' ' A' ' 78' ' ' ARG . . . -57.91 163.95 2.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.704 -179.603 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -85.84 151.31 23.9 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.248 179.192 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -109.51 -135.46 7.25 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.447 -0.883 . . . . 0.0 114.024 -178.718 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -106.71 -3.43 20.55 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 112.208 0.448 . . . . 0.0 112.208 -178.514 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.431 ' HB3' ' CD ' ' A' ' 116' ' ' LYS . . . -87.38 166.96 14.45 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.018 0.437 . . . . 0.0 111.749 -179.301 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.3 p -132.91 155.22 49.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.362 179.457 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -84.88 146.74 27.13 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.277 -0.419 . . . . 0.0 109.883 179.083 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 86.5 p -154.89 -165.81 2.14 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.973 0.415 . . . . 0.0 111.173 -179.262 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 10.6 mtmm -79.13 -45.01 20.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.079 178.971 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.6 tmm_? -52.23 -39.13 59.87 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.57 -179.999 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.4 ' O ' HG13 ' A' ' 93' ' ' ILE . 35.9 mt -70.29 -35.15 61.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.26 179.524 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -65.32 -40.66 94.0 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 178.879 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.57 -48.11 65.09 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.371 -0.832 . . . . 0.0 110.051 179.373 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 48.0 t -53.44 -46.09 69.71 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 178.956 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 89' ' ' ILE . 97.3 mt -60.54 -52.72 58.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.187 179.111 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.4 m -51.08 -37.97 48.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.256 -179.829 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -74.39 -36.74 63.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.905 0.383 . . . . 0.0 109.968 179.724 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? -69.9 -31.72 69.67 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 178.34 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 6.7 mmtp 61.62 71.05 0.56 Allowed 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 115.496 -0.774 . . . . 0.0 109.471 -178.751 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 25.8 m -130.21 162.55 37.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.321 -179.108 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.84 64.43 7.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.42 -179.633 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.9 mt -138.15 108.46 4.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.997 0.427 . . . . 0.0 110.621 179.179 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -136.08 152.05 50.46 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.471 -179.941 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.47 130.68 35.64 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.128 0.489 . . . . 0.0 112.004 -179.263 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 51.0 t0 -79.4 134.98 36.57 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 177.74 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 16.1 mtmt -86.93 -0.02 55.84 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -179.186 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 24.1 p -84.07 -14.55 50.18 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.666 0.27 . . . . 0.0 110.811 179.188 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -77.36 -169.94 1.58 Allowed 'General case' 0 C--O 1.231 0.107 0 CA-C-O 120.951 0.405 . . . . 0.0 111.66 -179.591 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.25 -71.08 0.5 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.151 -179.553 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 27.8 p80 -59.57 162.12 5.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.658 -179.332 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 49.2 mt -125.06 67.39 1.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.301 179.475 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -137.9 107.15 6.07 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.39 179.96 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 27.2 pt -78.62 -180.0 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.924 179.834 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . 0.44 ' HB2' ' HD3' ' A' ' 78' ' ' ARG . 12.5 p -96.62 160.07 14.59 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.686 179.924 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -56.58 -37.31 70.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.949 0.404 . . . . 0.0 110.512 179.552 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -53.14 -62.03 1.92 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.384 -179.593 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 25.1 m170 -65.8 -28.31 68.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.498 -179.363 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.431 ' CD ' ' HB3' ' A' ' 83' ' ' ALA . 10.0 ttpp -63.51 -54.07 42.11 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.015 0.436 . . . . 0.0 110.527 179.815 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . 0.418 ' ND2' ' OG ' ' A' ' 121' ' ' SER . 3.1 t-20 -63.95 -45.97 86.79 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.743 179.942 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 4.1 tt -56.05 -54.43 45.0 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.973 -179.026 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 64.5 mt -71.72 -42.37 70.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 -177.939 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -73.88 -36.91 64.84 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 -178.416 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.418 ' OG ' ' ND2' ' A' ' 117' ' ' ASN . 50.1 m . . . . . 0 C--N 1.329 -0.316 0 N-CA-C 115.01 1.485 . . . . 0.0 115.01 -175.81 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 . . . . . 0 N--CA 1.457 -0.114 0 CA-C-O 121.148 0.499 . . . . 0.0 111.537 . . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 65.0 mt -125.04 160.7 28.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.729 179.759 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.425 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 21.7 t -46.02 149.52 0.67 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.099 179.694 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 17.7 p -106.16 6.51 30.98 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 111.723 0.268 . . . . 0.0 111.723 179.82 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 85.4 mt -101.73 160.51 14.41 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 178.715 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 52.6 mtp180 -124.93 118.19 25.74 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.781 0.324 . . . . 0.0 111.211 -179.687 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -98.88 117.5 33.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.05 179.032 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 57.87 37.72 26.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.529 -179.13 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 80.36 -7.97 55.09 Favored Glycine 0 N--CA 1.451 -0.329 0 CA-C-N 115.872 -0.604 . . . . 0.0 113.197 179.691 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -99.24 132.99 44.17 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 117.248 0.524 . . . . 0.0 111.017 179.912 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.423 ' O ' ' N ' ' A' ' 77' ' ' GLY . 4.3 mmm180 -69.06 67.25 0.16 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.422 -0.808 . . . . 0.0 112.819 -178.174 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . 0.425 ' HB3' ' HB3' ' A' ' 67' ' ' CYS . 12.3 t 37.43 -89.08 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 112.797 0.666 . . . . 0.0 112.797 178.1 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 124.05 -27.41 5.63 Favored Glycine 0 C--N 1.336 0.533 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.655 -179.52 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.452 ' HD3' ' HB2' ' A' ' 112' ' ' CYS . 44.9 ttt85 -77.73 148.53 34.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.656 0.265 . . . . 0.0 110.578 179.79 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.7 150.84 35.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.64 -179.621 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.91 157.1 37.3 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.079 179.252 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -109.66 -120.29 4.24 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.333 -0.937 . . . . 0.0 113.852 -178.838 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -124.49 -25.59 4.02 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -178.413 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -75.03 167.95 20.92 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.138 0.494 . . . . 0.0 111.951 -179.187 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.3 m -125.17 169.6 12.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.238 179.636 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -94.68 122.21 37.05 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.016 179.25 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 95.6 p -126.36 -162.42 1.14 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.733 -179.258 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.84 -44.52 18.31 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 178.752 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -51.49 -39.76 58.18 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.884 -179.091 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.405 ' O ' HG13 ' A' ' 93' ' ' ILE . 54.1 mt -68.62 -35.35 69.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.001 0.429 . . . . 0.0 109.901 179.206 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -63.31 -48.29 78.68 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-O 121.777 0.799 . . . . 0.0 109.114 178.283 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.3 mmtp -61.32 -45.41 94.54 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 114.3 -1.318 . . . . 0.0 110.54 179.332 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 33.6 t -59.96 -41.15 91.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.044 179.078 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.424 HG23 ' CG2' ' A' ' 98' ' ' VAL . 87.2 mt -64.85 -45.53 94.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.912 178.917 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 20.0 t -52.5 -52.15 55.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.004 -179.937 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -59.2 -29.38 67.45 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.056 0.455 . . . . 0.0 110.016 179.723 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp -79.27 -38.56 35.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.946 178.813 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.48 77.48 0.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.276 -0.874 . . . . 0.0 109.628 -178.616 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.424 ' CG2' HG23 ' A' ' 93' ' ' ILE . 27.9 m -130.69 -178.78 2.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.558 -0.747 . . . . 0.0 111.264 -179.237 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -101.83 61.4 0.89 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.374 -179.51 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 67.8 mt -134.06 105.59 7.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.052 179.072 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -132.73 164.57 26.49 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.978 -179.797 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 13.3 tp -86.56 143.28 27.76 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.73 -179.459 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -95.38 150.63 20.06 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 177.87 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.88 2.27 56.63 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.114 0.412 . . . . 0.0 112.114 -179.263 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 6.7 m -82.16 -37.36 26.28 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.968 0.413 . . . . 0.0 110.726 179.684 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.95 131.74 43.37 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.622 -179.414 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.19 -37.78 15.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.37 179.941 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 19.2 p80 -80.06 157.3 26.75 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.98 0.419 . . . . 0.0 111.388 -179.457 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 83.8 mt -121.97 83.07 2.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.087 178.96 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -147.99 117.89 7.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.298 -179.831 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 30.8 pt -96.02 162.53 2.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.841 179.873 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . 0.452 ' HB2' ' HD3' ' A' ' 78' ' ' ARG . 8.2 p -75.02 171.3 14.34 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.595 179.689 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -72.93 -28.79 62.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.01 0.433 . . . . 0.0 110.68 179.882 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -59.52 -61.72 2.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.452 -179.627 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 22.4 m170 -64.01 -36.32 83.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.662 -179.311 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.66 -53.79 54.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.982 0.42 . . . . 0.0 110.817 179.948 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -65.64 -37.99 88.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.267 -179.428 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 4.5 tt -62.44 -50.01 73.16 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.598 -179.5 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 75.7 mt -74.19 -45.47 47.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -178.079 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.86 -40.14 95.86 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 -178.252 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.8 t . . . . . 0 C--N 1.327 -0.383 0 N-CA-C 114.379 1.252 . . . . 0.0 114.379 -175.961 . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 . . . . . 0 N--CA 1.454 -0.23 0 CA-C-O 121.072 0.463 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 82.2 mt -139.41 148.97 43.52 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.36 179.349 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 44.5 t -49.75 150.94 1.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.829 179.85 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 71.8 m -117.13 27.24 9.24 Favored 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -178.915 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 75.7 mt -114.12 163.35 15.31 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 178.695 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.408 ' HA ' ' O ' ' A' ' 74' ' ' GLU . 37.2 mtp180 -124.68 123.2 39.51 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.405 -179.577 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -104.33 92.66 4.43 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 178.651 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 66.88 43.39 2.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.757 -178.89 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 90.35 -19.61 42.49 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.928 -0.653 . . . . 0.0 113.099 179.352 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.408 ' O ' ' HA ' ' A' ' 70' ' ' ARG . 1.9 mm-40 -83.84 129.34 34.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.812 0.306 . . . . 0.0 111.368 -179.476 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 77' ' ' GLY . 1.8 tmm_? -81.93 59.64 4.41 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.45 -179.182 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 11.8 t 40.03 -84.23 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 113.221 0.823 . . . . 0.0 113.221 179.004 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 110.23 -23.96 19.51 Favored Glycine 0 C--N 1.333 0.4 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.168 -179.292 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 28.7 ttt85 -76.58 146.65 38.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.674 0.273 . . . . 0.0 110.341 179.726 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.84 157.48 21.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.652 -179.545 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.2 151.93 39.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.08 179.139 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -109.96 -135.58 7.16 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.358 -0.925 . . . . 0.0 113.885 -178.84 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -104.28 -10.27 17.97 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -178.812 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -83.43 170.21 14.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.072 0.463 . . . . 0.0 111.641 -179.462 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.0 p -139.15 140.08 37.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.6 179.605 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -63.61 125.3 23.82 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 179.088 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 93.1 p -129.64 -167.45 1.8 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.958 0.409 . . . . 0.0 111.316 -178.958 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -78.85 -41.19 30.61 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.587 179.609 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.58 -43.64 72.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.45 179.344 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 34.8 mt -65.75 -38.81 83.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.084 179.422 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.68 -51.83 65.66 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-O 121.636 0.731 . . . . 0.0 109.271 178.667 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -55.56 -40.35 71.82 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 114.667 -1.151 . . . . 0.0 109.928 178.941 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 14.9 t -61.17 -51.93 66.96 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.952 178.793 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 89.4 mt -53.0 -53.43 21.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.342 179.204 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 52.2 m -52.89 -40.36 63.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.055 -179.765 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -75.65 -18.34 59.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.884 0.374 . . . . 0.0 110.546 179.168 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 20.1 mtpp -84.92 -40.18 17.31 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-O 121.235 0.541 . . . . 0.0 110.099 178.711 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 7.2 tptt 71.66 72.46 0.17 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.417 -0.81 . . . . 0.0 109.336 -178.602 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 15.7 m -135.44 172.78 15.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.392 -179.1 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -93.46 63.69 3.54 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.388 -179.727 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 72.8 mt -129.33 117.97 44.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.525 179.372 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -133.78 159.84 39.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.452 179.595 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -77.8 123.84 27.22 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.063 0.459 . . . . 0.0 111.754 -179.526 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -77.04 111.57 12.75 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 178.134 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.29 -4.64 48.92 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.303 0.482 . . . . 0.0 112.303 -178.626 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 60.8 p -81.75 -3.68 54.41 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 121.164 -0.214 . . . . 0.0 111.552 179.88 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -72.92 -159.88 0.07 Allowed 'General case' 0 C--O 1.232 0.134 0 CA-C-O 120.918 0.39 . . . . 0.0 111.193 -179.798 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 15.0 mtp180 -138.78 4.44 2.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.362 178.973 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -163.02 -179.51 6.78 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 121.067 0.461 . . . . 0.0 111.434 -178.741 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 33.5 mt -118.54 81.9 1.76 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.802 178.312 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -141.96 120.52 12.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.573 179.852 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 43.4 pt -100.83 168.89 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.95 179.842 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 23.6 p -86.62 174.6 8.79 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.493 179.531 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -73.9 -28.71 61.68 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.468 179.605 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -58.96 -61.99 2.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.634 -179.408 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 22.2 m80 -66.23 -26.15 67.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.69 -179.314 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.85 -54.11 25.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.046 0.45 . . . . 0.0 110.658 179.801 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 32.9 t30 -69.86 -28.71 65.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.066 -179.748 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 4.3 tt -72.9 -48.75 34.5 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.777 -179.089 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 67.8 mt -79.1 -41.97 23.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 113.275 0.843 . . . . 0.0 113.275 -177.952 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -62.65 -36.39 82.68 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 -178.238 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.327 -0.387 0 N-CA-C 114.841 1.422 . . . . 0.0 114.841 -175.653 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 121.108 0.48 . . . . 0.0 112.093 . . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 51.2 mt -116.52 152.13 34.73 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.201 179.069 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.426 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 41.4 t -47.23 154.75 0.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.13 -179.919 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 61.7 m -122.2 35.0 4.99 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 112.762 0.653 . . . . 0.0 112.762 -178.486 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 93.1 mt -121.62 165.76 15.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.862 0.363 . . . . 0.0 110.621 178.311 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.464 ' HG2' ' HD2' ' A' ' 75' ' ' ARG . 34.5 mtp180 -130.84 115.84 17.13 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.087 -179.953 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -101.19 108.08 19.65 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 178.99 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 55.32 27.07 9.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.747 -179.139 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 102.53 -4.99 51.19 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.806 -0.711 . . . . 0.0 113.4 179.314 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -92.79 123.46 36.08 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 117.219 0.509 . . . . 0.0 111.773 -179.555 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.464 ' HD2' ' HG2' ' A' ' 70' ' ' ARG . 5.8 mmm-85 -80.31 58.57 3.13 Favored 'General case' 0 C--O 1.227 -0.087 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.747 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . 0.426 ' HB3' ' HB3' ' A' ' 67' ' ' CYS . 10.2 t 31.5 -85.87 0.0 OUTLIER 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 179.638 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 109.16 -21.16 27.4 Favored Glycine 0 C--N 1.336 0.544 0 C-N-CA 120.531 -0.842 . . . . 0.0 112.534 -179.613 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 35.3 ttt85 -71.92 147.66 46.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.842 0.353 . . . . 0.0 110.56 179.779 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.73 147.8 36.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.759 -179.426 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.98 150.42 45.68 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.119 179.05 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -109.96 -131.97 6.24 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.371 -0.918 . . . . 0.0 114.002 -178.632 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -115.97 18.09 15.67 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.605 -0.298 . . . . 0.0 111.773 -178.405 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -111.87 164.34 13.2 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.068 0.461 . . . . 0.0 111.775 -179.417 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 17.5 p -129.34 157.58 41.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.46 179.467 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -84.47 111.48 19.52 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.695 179.192 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 53.6 p -113.69 -171.52 1.91 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.055 0.455 . . . . 0.0 111.614 -178.641 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.43 -42.36 36.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.12 178.974 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.59 -41.23 61.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.122 179.545 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 76.1 mt -71.43 -38.43 68.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.212 179.436 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.96 -42.2 93.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.319 0.581 . . . . 0.0 109.654 178.902 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.04 -54.43 11.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.155 179.594 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 19.9 t -51.26 -31.47 21.16 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.07 0.462 . . . . 0.0 109.924 179.129 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.458 HG21 ' CG2' ' A' ' 98' ' ' VAL . 52.5 mt -73.6 -55.06 13.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.646 -0.707 . . . . 0.0 109.977 178.799 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.5 t -51.43 -30.46 19.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.151 -179.463 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -83.72 -33.11 25.18 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.91 0.386 . . . . 0.0 109.964 179.52 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 12.0 mtpp -62.52 -25.58 68.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.16 178.511 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.88 63.37 0.39 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.539 -178.82 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.458 ' CG2' HG21 ' A' ' 93' ' ' ILE . 25.6 m -132.65 160.39 42.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.039 -179.401 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 5.6 mttm -95.64 69.52 2.97 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.552 -179.588 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 37.1 mt -126.5 108.29 18.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.363 179.146 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -120.93 166.79 13.32 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.604 179.774 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 23.4 tp -89.91 143.47 26.76 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.211 0.529 . . . . 0.0 111.736 -179.605 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -101.6 136.49 41.35 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 178.109 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 8.7 mmtp -92.75 -21.42 19.95 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -178.707 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 98.4 p -90.03 23.13 2.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.631 0.253 . . . . 0.0 111.087 179.953 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -77.13 -90.06 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -178.816 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.429 ' HB3' ' CD2' ' A' ' 108' ' ' HIS . 4.2 ttm180 174.21 -27.75 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.802 -177.228 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . 0.429 ' CD2' ' HB3' ' A' ' 107' ' ' ARG . 11.2 p80 -169.53 -169.04 0.86 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.446 -179.591 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 24.0 mt -118.14 70.2 0.8 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.115 0.483 . . . . 0.0 109.965 178.573 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 -135.95 122.93 21.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.23 -179.644 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 34.4 pt -105.32 161.33 5.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.948 -179.877 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 7.9 p -75.24 171.57 13.95 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.467 179.568 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -70.31 -36.09 74.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.065 0.46 . . . . 0.0 110.476 179.725 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -48.77 -61.63 1.94 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.3 179.989 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 21.3 m170 -62.55 -28.64 70.0 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.748 -179.087 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 16.6 ttpp -64.3 -53.29 51.27 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.986 0.422 . . . . 0.0 110.653 179.68 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -67.07 -34.13 77.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.187 -179.676 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 7.0 tt -67.62 -50.2 59.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.064 -0.516 . . . . 0.0 112.03 -179.115 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.4 HG22 HD12 ' A' ' 119' ' ' ILE . 64.3 mt -74.05 -47.73 40.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 113.145 0.795 . . . . 0.0 113.145 -178.082 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -59.09 -42.2 89.91 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 -178.35 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 49.5 m . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 -175.861 . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 . . . . . 0 CA--C 1.521 -0.138 0 CA-C-O 121.012 0.434 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -108.48 141.05 40.92 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.28 0.562 . . . . 0.0 111.512 179.921 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 42.4 t -44.11 143.76 1.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.386 -179.811 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 28.4 p -101.04 24.18 9.73 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.319 -179.94 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.427 HD12 ' ND1' ' A' ' 115' ' ' HIS . 88.6 mt -110.98 150.15 29.67 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 178.851 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.403 ' HA ' ' O ' ' A' ' 74' ' ' GLU . 9.3 mtp180 -119.77 111.9 18.57 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.842 0.353 . . . . 0.0 111.354 -179.393 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -94.93 103.21 15.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.259 179.334 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 69.25 46.63 0.77 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.868 -179.543 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 74.15 -4.62 31.23 Favored Glycine 0 CA--C 1.521 0.421 0 C-N-CA 120.907 -0.663 . . . . 0.0 113.358 179.671 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.403 ' O ' ' HA ' ' A' ' 70' ' ' ARG . 25.8 mm-40 -101.35 135.34 43.0 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 117.247 0.524 . . . . 0.0 110.807 -179.53 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.478 ' O ' ' N ' ' A' ' 77' ' ' GLY . 10.9 tpp85 -69.85 61.89 0.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.33 -178.405 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 6.9 t 48.87 -79.32 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 178.45 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 114.04 -24.22 11.98 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 120.676 -0.773 . . . . 0.0 111.963 -179.196 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 46.9 ttt85 -89.03 147.54 24.21 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 179.297 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -77.93 146.96 35.23 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.919 0.39 . . . . 0.0 111.528 -178.911 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.28 154.37 8.2 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.726 179.69 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -130.51 -132.03 3.38 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.161 -1.019 . . . . 0.0 114.049 -178.976 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -101.47 64.63 1.01 Allowed 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 111.925 0.342 . . . . 0.0 111.925 -178.348 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -163.48 179.67 7.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.975 0.417 . . . . 0.0 111.447 179.872 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 33.8 p -145.94 177.26 9.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.566 179.782 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -106.3 124.06 49.0 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.592 179.042 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 64.5 p -127.46 -169.33 2.03 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.982 0.42 . . . . 0.0 111.635 -178.479 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.9 mmtm -76.32 -44.04 38.59 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.858 179.065 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.5 tmm_? -52.1 -37.88 55.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.684 -179.682 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 25.3 mt -69.43 -38.08 76.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.218 179.524 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -63.1 -44.53 95.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.192 0.52 . . . . 0.0 109.717 178.849 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -65.63 -47.55 75.23 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.78 179.254 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 35.5 t -54.06 -48.37 70.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.928 179.247 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 95.6 mt -64.42 -40.26 88.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.965 178.923 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 19.1 t -53.51 -53.97 43.92 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.972 179.941 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -57.71 -38.31 75.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.998 0.427 . . . . 0.0 110.043 179.81 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.6 mttm -67.17 -42.89 83.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.828 178.695 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 62.02 75.87 0.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.262 -0.881 . . . . 0.0 109.476 -178.574 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 20.3 m -127.82 -179.47 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.078 -179.245 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 7.2 mttp -91.15 55.95 3.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.951 0.405 . . . . 0.0 111.333 -179.737 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 62.9 mt -129.53 124.36 59.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.179 179.035 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -148.0 168.48 22.2 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.618 -179.545 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 34.2 tp -84.72 140.83 31.0 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.372 0.606 . . . . 0.0 111.332 179.697 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -79.6 144.34 33.92 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 177.752 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm -93.95 -29.88 15.03 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.623 -0.431 . . . . 0.0 111.428 -179.42 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 51.8 m -62.37 -36.23 81.63 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.161 179.993 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.5 153.72 38.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.878 -179.241 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.3 -76.5 0.53 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.308 -179.976 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -53.86 176.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.547 -179.157 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 89.1 mt -133.22 82.36 1.99 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.417 -0.811 . . . . 0.0 109.769 178.916 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -139.63 126.23 20.49 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.809 -179.138 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 28.5 pt -104.89 177.99 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.95 -179.802 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 7.8 p -93.14 165.2 12.94 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.369 179.515 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -64.31 -29.53 70.61 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.15 0.5 . . . . 0.0 110.259 179.744 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -56.73 -59.54 4.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.317 179.859 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . 0.427 ' ND1' HD12 ' A' ' 69' ' ' LEU . 15.9 m170 -66.23 -36.41 82.97 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.695 -179.425 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 12.1 ttpp -58.04 -53.03 62.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.146 0.498 . . . . 0.0 110.592 179.714 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 45.7 t30 -68.15 -35.38 77.98 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.219 -179.42 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.1 tt -65.7 -41.99 91.72 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.631 -179.341 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 75.4 mt -86.14 -35.83 9.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 -177.99 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -73.35 -32.19 64.39 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 113.523 0.934 . . . . 0.0 113.523 -178.165 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.6 m . . . . . 0 C--N 1.329 -0.284 0 N-CA-C 114.488 1.292 . . . . 0.0 114.488 -176.577 . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.52 -0.206 0 CA-C-O 121.023 0.439 . . . . 0.0 111.311 . . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -115.75 155.28 28.07 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.025 -179.812 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 29.6 t -46.13 152.54 0.39 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.487 -179.813 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 25.1 p -114.18 18.64 16.95 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.377 179.796 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 72.2 mt -111.59 156.25 22.07 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 178.994 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.402 ' O ' ' HA ' ' A' ' 100' ' ' ILE . 37.0 mtt180 -120.02 128.97 54.02 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.774 0.321 . . . . 0.0 111.343 -179.42 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -109.41 107.92 18.26 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 178.762 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 59.48 36.13 22.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.724 -179.274 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 88.45 -15.09 57.88 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.81 -0.71 . . . . 0.0 113.097 179.639 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -89.64 135.86 33.37 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.044 0.449 . . . . 0.0 111.244 -179.64 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 6.9 tpp85 -77.3 67.53 3.26 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.556 -178.431 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 11.0 t 37.01 -101.5 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 178.357 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 138.34 -29.59 2.59 Favored Glycine 0 C--N 1.336 0.577 0 C-N-CA 120.425 -0.893 . . . . 0.0 112.234 -179.52 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 44.6 ttt180 -80.01 136.98 36.72 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 179.076 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.95 159.42 11.45 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.968 0.413 . . . . 0.0 111.57 -178.924 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.55 167.94 10.03 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.713 -179.443 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -132.51 -137.08 3.89 Favored Glycine 0 C--N 1.334 0.423 0 C-N-CA 120.539 -0.839 . . . . 0.0 113.804 -179.196 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -107.27 4.97 27.15 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 112.284 0.476 . . . . 0.0 112.284 -178.449 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.402 ' HB2' ' HD3' ' A' ' 116' ' ' LYS . . . -93.84 177.27 6.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.17 0.51 . . . . 0.0 111.595 -179.375 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 36.0 p -142.81 155.94 44.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.496 179.639 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -82.22 124.24 29.74 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 179.116 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 64.5 p -129.39 -175.92 3.73 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.12 0.486 . . . . 0.0 111.722 -179.052 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 16.7 ptmt -75.03 -38.69 61.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.013 179.17 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.55 -46.05 77.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.95 179.05 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 19.7 mt -60.8 -43.33 95.16 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 178.685 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -55.19 -49.12 72.71 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.009 -0.542 . . . . 0.0 109.826 178.885 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -57.06 -47.24 81.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.93 179.511 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.3 m -53.56 -52.95 58.1 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.178 -0.464 . . . . 0.0 109.806 178.944 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 66.3 mt -53.1 -55.34 12.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.257 179.066 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 40.6 t -49.58 -45.22 47.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.052 -179.941 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -61.3 -42.31 98.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.05 179.591 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.4 mtpm? -71.16 -31.54 67.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.982 178.923 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 6.7 tptm 58.12 71.42 0.58 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.429 -178.515 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 29.2 m -127.81 169.85 18.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.257 -179.218 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -86.05 71.76 10.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.473 -179.713 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.402 ' HA ' ' O ' ' A' ' 70' ' ' ARG . 40.0 mt -142.15 104.07 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.463 179.339 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.2 pm0 -121.63 178.5 4.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.621 179.761 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.458 ' HG ' ' N ' ' A' ' 103' ' ' ASP . 0.6 OUTLIER -93.57 142.8 26.94 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.259 0.552 . . . . 0.0 112.198 -179.196 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.458 ' N ' ' HG ' ' A' ' 102' ' ' LEU . 11.3 t70 -82.48 129.6 34.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.391 -0.822 . . . . 0.0 108.889 177.559 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.407 ' HB2' ' HE3' ' A' ' 104' ' ' LYS . 43.3 mtmt -90.05 -16.1 30.43 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 121.014 -0.274 . . . . 0.0 111.734 -179.63 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.2 p -87.2 18.21 3.83 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.567 0.223 . . . . 0.0 111.007 179.576 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -88.21 175.15 7.82 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-O 121.288 0.566 . . . . 0.0 111.483 -179.736 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -131.12 1.85 4.26 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.298 -0.864 . . . . 0.0 111.306 179.557 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 29.7 p80 -149.96 164.35 35.69 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 120.868 0.366 . . . . 0.0 110.744 -179.466 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 93.8 mt -120.33 72.66 0.96 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.052 179.217 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -137.97 112.03 8.47 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.421 -179.927 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 32.7 pt -87.8 173.1 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.951 179.956 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 8.4 p -89.81 165.15 14.31 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.625 179.652 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.16 -38.9 88.11 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.09 0.471 . . . . 0.0 110.356 179.746 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . 0.413 ' O ' ' HB2' ' A' ' 118' ' ' LEU . 85.6 t80 -49.68 -62.63 1.45 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.276 -179.755 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 13.7 m170 -64.57 -26.65 68.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.773 -179.062 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.423 ' O ' ' HB2' ' A' ' 120' ' ' GLN . 13.4 ttpp -66.49 -54.66 21.43 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.863 -179.982 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -71.28 -27.47 63.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.127 -179.283 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.413 ' HB2' ' O ' ' A' ' 114' ' ' TYR . 3.1 tt -74.05 -43.44 57.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.692 -179.15 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.418 HD11 HG22 ' A' ' 119' ' ' ILE . 77.2 mt -84.35 -36.94 12.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 -178.075 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.423 ' HB2' ' O ' ' A' ' 116' ' ' LYS . 18.9 mt-30 -66.67 -34.3 77.56 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 -178.74 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 57.8 m . . . . . 0 C--N 1.326 -0.439 0 N-CA-C 114.741 1.385 . . . . 0.0 114.741 -175.927 . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.108 0 CA-C-O 121.046 0.45 . . . . 0.0 111.28 . . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 85.9 mt -131.61 145.56 51.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.6 179.666 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.427 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 36.8 t -48.69 139.13 9.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.808 179.735 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.479 ' HA ' ' NH1' ' A' ' 75' ' ' ARG . 52.8 m -109.41 31.93 5.39 Favored 'General case' 0 N--CA 1.462 0.127 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -178.715 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 94.2 mt -111.97 155.63 23.42 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 178.694 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.4 ' HA ' ' O ' ' A' ' 74' ' ' GLU . 11.8 mtp180 -123.95 108.27 12.23 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.773 0.321 . . . . 0.0 111.439 -179.761 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.412 ' O ' ' HB2' ' A' ' 74' ' ' GLU . 34.5 tt0 -99.87 113.19 25.56 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.156 179.164 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 52.04 46.08 27.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.016 0.436 . . . . 0.0 110.739 -179.353 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 78.99 0.47 82.34 Favored Glycine 0 CA--C 1.519 0.305 0 C-N-CA 120.881 -0.676 . . . . 0.0 113.346 179.396 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.412 ' HB2' ' O ' ' A' ' 71' ' ' GLU . 17.7 mm-40 -101.01 124.82 47.32 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 117.286 0.543 . . . . 0.0 111.509 -179.955 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.583 ' O ' ' N ' ' A' ' 77' ' ' GLY . 2.4 mmm180 -85.53 55.33 3.46 Favored 'General case' 0 C--O 1.223 -0.336 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.914 -179.914 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . 0.427 ' HB3' ' HB3' ' A' ' 67' ' ' CYS . 0.5 OUTLIER 39.23 -73.27 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 179.923 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.583 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 96.81 -24.46 30.92 Favored Glycine 0 N--CA 1.449 -0.46 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 -179.144 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 37.7 ttt180 -69.96 143.63 52.59 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.424 -0.388 . . . . 0.0 110.553 179.433 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.15 148.63 43.87 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.623 -179.613 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.86 154.37 41.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.639 178.789 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -131.68 -151.86 7.02 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 119.816 -1.183 . . . . 0.0 113.936 -178.831 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -85.25 60.26 6.13 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.06 -0.57 . . . . 0.0 111.282 -178.792 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.401 ' HB1' ' HD3' ' A' ' 116' ' ' LYS . . . -151.67 164.97 35.79 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.209 179.938 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.3 m -140.2 165.58 27.0 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.318 179.866 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -96.82 94.67 7.39 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 178.853 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 64.0 p -100.05 -170.38 1.87 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.141 -179.27 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.26 -43.46 33.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.461 178.688 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -51.45 -36.7 45.18 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 120.99 0.424 . . . . 0.0 110.029 179.981 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.416 HG21 HG21 ' A' ' 119' ' ' ILE . 26.2 mt -69.68 -43.29 80.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.696 178.788 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -58.45 -37.64 75.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.98 179.095 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.52 -46.0 64.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.851 179.322 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.434 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 8.2 t -54.94 -37.95 67.1 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.563 179.014 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 79.7 mt -73.63 -41.94 55.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.523 179.079 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.21 -36.17 72.72 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.261 -179.863 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -77.63 -25.86 50.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.815 0.341 . . . . 0.0 110.436 179.778 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.434 ' HG3' ' O ' ' A' ' 92' ' ' SER . 1.4 mtpp -81.94 -49.72 9.97 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.263 178.806 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 96' ' ' LYS . 49.4 mmtt 70.46 72.72 0.21 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.372 -178.012 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 16.0 m -122.51 174.02 7.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.507 -0.769 . . . . 0.0 111.53 -179.154 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 5.8 mttm -83.85 57.08 3.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.674 -179.6 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 79.4 mt -121.32 135.83 60.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.318 179.236 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -154.59 179.92 8.59 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.643 179.465 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 5.1 tp -110.48 135.44 51.16 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.158 0.504 . . . . 0.0 111.705 -179.714 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -83.66 144.39 29.44 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 177.969 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 3.8 mmmp? -96.71 -6.57 36.08 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -178.645 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 21.5 p -82.73 3.45 29.19 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 121.124 -0.23 . . . . 0.0 111.104 179.301 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -74.61 -158.91 0.08 Allowed 'General case' 0 N--CA 1.456 -0.15 0 CA-C-O 120.994 0.426 . . . . 0.0 111.548 -179.292 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -159.36 21.93 0.19 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.362 179.355 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 16.0 p80 -174.74 175.74 2.38 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 120.977 0.417 . . . . 0.0 110.871 -178.405 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 54.2 mt -126.63 66.05 1.25 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.162 179.31 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 55.7 m-85 -128.83 100.33 5.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.328 179.877 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 36.9 pt -81.74 173.44 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.938 179.864 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 20.9 p -84.97 176.0 8.72 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.585 179.616 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -73.03 -37.53 66.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.972 0.415 . . . . 0.0 110.441 179.421 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -48.42 -57.86 5.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.193 -179.99 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 15.2 m80 -66.89 -37.12 83.8 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -179.294 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.401 ' HD3' ' HB1' ' A' ' 83' ' ' ALA . 13.7 ttpp -56.01 -52.64 63.5 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.962 0.411 . . . . 0.0 110.271 179.672 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -65.11 -45.99 82.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.846 179.805 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 3.3 tt -56.53 -44.82 81.19 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.946 -179.125 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.416 HG21 HG21 ' A' ' 89' ' ' ILE . 77.5 mt -79.16 -49.78 19.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 -177.932 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -64.08 -19.75 65.46 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 -178.405 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 8.4 t . . . . . 0 C--N 1.328 -0.335 0 N-CA-C 114.429 1.27 . . . . 0.0 114.429 -176.537 . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.92 0.391 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.448 ' HA ' ' HA ' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -136.36 168.86 18.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.19 -0.459 . . . . 0.0 112.081 179.893 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 48.3 t -79.09 145.72 33.63 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.934 -179.624 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 28.3 p -109.81 30.3 6.81 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -179.157 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.479 HD12 ' CG ' ' A' ' 115' ' ' HIS . 55.3 mt -109.86 159.53 17.15 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 177.8 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 27.8 mtm180 -122.06 113.91 20.2 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.499 -0.318 . . . . 0.0 111.281 -179.747 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -105.27 103.2 12.69 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 178.864 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 64.97 48.66 2.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.559 -179.244 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 71.54 3.11 53.06 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.857 -0.687 . . . . 0.0 113.253 179.745 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -105.14 134.35 48.38 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 117.16 0.48 . . . . 0.0 111.396 -179.838 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.47 ' O ' ' N ' ' A' ' 77' ' ' GLY . 0.0 OUTLIER -77.38 60.02 1.95 Allowed 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.34 -179.378 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 5.7 t 44.14 -80.93 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 178.948 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 108.16 -26.89 15.57 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.578 -0.82 . . . . 0.0 111.695 -178.896 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 30.3 ttt85 -78.63 134.37 37.17 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 179.152 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.448 ' HA ' ' HA ' ' A' ' 66' ' ' LEU . . . -56.34 158.91 3.89 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.873 0.368 . . . . 0.0 111.888 -178.75 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.41 160.94 31.02 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.138 -179.884 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -122.32 -126.27 3.19 Favored Glycine 0 C--N 1.333 0.363 0 C-N-CA 120.344 -0.931 . . . . 0.0 114.083 -178.943 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -107.5 -36.11 6.56 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -178.11 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.77 154.85 35.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.033 0.444 . . . . 0.0 111.659 -179.353 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 28.8 p -122.36 167.72 12.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.508 179.449 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -90.15 110.23 21.26 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.758 179.144 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 59.8 p -118.42 -158.15 0.71 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.336 -178.809 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.401 ' O ' ' HB3' ' A' ' 90' ' ' GLN . 1.4 mttp -79.89 -51.51 9.03 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-O 121.371 0.605 . . . . 0.0 111.524 179.362 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -51.81 -43.43 63.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.103 -179.056 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 9.8 mt -64.56 -36.69 78.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 C-N-CA 120.662 -0.415 . . . . 0.0 109.95 179.128 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.401 ' HB3' ' O ' ' A' ' 87' ' ' LYS . 0.9 OUTLIER -64.48 -52.71 56.53 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-O 121.555 0.693 . . . . 0.0 109.27 178.785 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -55.6 -42.84 75.42 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 114.599 -1.182 . . . . 0.0 110.121 179.064 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.432 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 3.2 m -58.77 -50.95 72.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.723 178.595 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 85.4 mt -61.5 -31.37 50.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.396 179.262 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.6 t -62.98 -49.5 74.45 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.36 -179.958 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -68.5 -30.81 69.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.034 0.445 . . . . 0.0 110.196 179.793 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' A' ' 92' ' ' SER . 15.1 mtpp -72.81 -39.18 66.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.613 179.45 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 9.1 mmtp 57.95 70.49 0.65 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.809 -178.844 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 15.4 m -124.81 159.24 31.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.048 -179.36 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 3.6 mttp -72.46 59.57 0.44 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.856 0.36 . . . . 0.0 111.233 -179.895 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 53.6 mt -138.1 109.48 5.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.968 179.599 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -139.07 166.34 24.76 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.338 179.714 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -80.61 143.28 33.26 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.935 -179.199 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -99.47 117.52 34.06 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 178.089 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 20.6 mtmm -75.72 -19.2 59.26 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 111.746 0.276 . . . . 0.0 111.746 -178.768 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 57.5 p -83.6 7.81 16.16 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 121.228 -0.189 . . . . 0.0 111.33 179.679 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.402 ' O ' ' HB2' ' A' ' 107' ' ' ARG . . . -75.43 -99.85 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 111.63 0.233 . . . . 0.0 111.63 -179.476 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.402 ' HB2' ' O ' ' A' ' 106' ' ' ALA . 35.1 ttt-85 176.08 -63.36 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.179 0 CA-C-O 121.217 0.532 . . . . 0.0 110.616 -178.804 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 27.2 p80 -115.54 -155.34 0.57 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.659 -179.078 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 67.7 mt -126.48 -118.76 0.26 Allowed 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 178.651 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 55.73 97.82 0.02 OUTLIER 'General case' 0 C--N 1.34 0.192 0 CA-C-O 120.985 0.421 . . . . 0.0 111.727 179.35 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 28.6 pt -88.01 155.68 3.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.408 179.35 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 16.1 p -74.18 164.09 27.04 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.73 179.818 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -64.37 -32.98 74.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.102 0.477 . . . . 0.0 110.229 179.566 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -52.59 -56.48 15.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.296 179.937 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . 0.479 ' CG ' HD12 ' A' ' 69' ' ' LEU . 14.7 m80 -68.96 -38.77 79.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.663 -179.383 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 16.1 ttpp -52.76 -52.54 56.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.103 0.478 . . . . 0.0 110.56 179.753 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -68.95 -45.15 71.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.356 -179.466 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 5.8 tt -55.74 -35.93 66.7 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.719 -179.43 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 87.5 mt -92.56 -39.92 11.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 113.21 0.818 . . . . 0.0 113.21 -177.971 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -73.02 -41.85 63.81 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 -177.937 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--N 1.325 -0.459 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 -175.014 . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.41 ' HB2' ' HB2' ' A' ' 80' ' ' ALA . 3.0 mt-30 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 121.068 0.461 . . . . 0.0 111.639 . . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 42.9 mt -135.73 137.5 41.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.717 179.968 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.404 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 44.3 t -40.69 147.01 0.13 Allowed 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.357 179.665 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 21.8 m -110.48 30.21 7.0 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -179.085 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 74.0 mt -113.55 141.38 47.23 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 178.342 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.425 ' NH2' ' HA2' ' A' ' 73' ' ' GLY . 55.9 mtp180 -109.61 114.29 27.78 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.943 0.402 . . . . 0.0 111.649 -179.21 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -96.69 104.64 16.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.911 179.155 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 57.0 42.28 26.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.032 0.444 . . . . 0.0 110.511 -179.468 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.425 ' HA2' ' NH2' ' A' ' 70' ' ' ARG . . . 84.15 0.96 89.67 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.772 -0.728 . . . . 0.0 113.129 179.921 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -104.15 123.87 48.06 Favored 'General case' 0 CA--C 1.521 -0.14 0 CA-C-N 117.121 0.46 . . . . 0.0 111.273 179.95 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' A' ' 77' ' ' GLY . 1.8 mmm-85 -75.16 60.49 1.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.471 -179.139 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . 0.404 ' HB3' ' HB3' ' A' ' 67' ' ' CYS . 18.7 t 39.81 -82.37 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 179.008 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 115.31 -31.34 6.26 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.803 -0.713 . . . . 0.0 111.723 -179.383 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.4 ' HD3' ' HB2' ' A' ' 112' ' ' CYS . 11.8 ttt85 -67.14 144.24 56.16 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 179.645 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.41 160.96 7.96 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.778 0.323 . . . . 0.0 111.154 -179.863 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.41 ' HB2' ' HB2' ' A' ' 65' ' ' GLN . . . -79.53 145.14 33.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 109.989 178.971 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -104.32 -137.01 9.05 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.442 -0.885 . . . . 0.0 114.032 -178.442 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -110.34 2.81 19.31 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -178.354 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.433 ' HB3' ' CD ' ' A' ' 116' ' ' LYS . . . -88.66 168.88 12.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.032 0.444 . . . . 0.0 111.69 -179.486 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.3 m -129.37 162.15 28.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.369 179.702 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -98.15 117.38 32.39 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 178.942 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 68.0 p -122.99 -164.46 1.2 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.252 -179.11 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.489 ' HD3' ' N ' ' A' ' 87' ' ' LYS . 0.3 OUTLIER -80.71 -40.53 25.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.433 179.092 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.54 -38.37 71.77 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.889 -179.96 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 29.7 mt -71.54 -40.51 71.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.148 179.16 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.08 -37.79 86.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.803 178.878 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.54 -47.86 65.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.755 179.306 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 14.0 t -55.14 -40.83 71.02 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.966 178.975 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 96.9 mt -67.76 -44.1 85.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.139 179.021 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 36.5 m -57.38 -53.86 53.37 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.081 -179.962 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 21.1 tp60 -63.21 -37.84 88.82 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 179.574 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 8.4 mtpp -56.34 -39.33 72.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.019 178.844 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 10.9 mttt 67.1 78.23 0.25 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.618 -179.035 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 14.0 m -142.54 -178.18 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.108 -179.17 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 33.1 mttm -103.9 68.44 0.91 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.966 0.412 . . . . 0.0 111.486 -179.768 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 40.0 mt -142.46 103.92 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.218 179.166 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -125.16 159.09 32.34 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.444 179.533 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.7 tp -76.67 132.88 39.63 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.097 0.475 . . . . 0.0 111.811 -179.563 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -80.9 113.18 18.93 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 178.094 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 3.1 mmpt? -71.82 -12.01 61.08 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -178.944 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 78.5 p -94.59 31.99 1.68 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.781 0.324 . . . . 0.0 110.717 179.703 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -103.0 -152.47 0.45 Allowed 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.382 -179.602 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.03 -76.75 0.47 Allowed 'General case' 0 N--CA 1.456 -0.172 0 CA-C-O 121.189 0.518 . . . . 0.0 111.37 -179.843 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 29.9 p80 -86.89 175.77 8.01 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.582 -0.735 . . . . 0.0 112.05 -178.752 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 39.8 mt -120.74 70.27 0.9 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.857 178.989 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -135.04 117.42 15.7 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.799 -179.418 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 25.5 pt -92.33 172.38 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.956 -179.887 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . 0.4 ' HB2' ' HD3' ' A' ' 78' ' ' ARG . 8.2 p -88.09 168.07 13.11 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.516 179.661 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -65.66 -35.7 81.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.027 0.442 . . . . 0.0 110.474 179.62 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -55.49 -61.22 2.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.18 -179.964 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 14.4 m170 -65.91 -26.96 67.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.763 -179.395 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.433 ' CD ' ' HB3' ' A' ' 83' ' ' ALA . 15.7 ttpp -67.19 -53.69 28.03 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.954 0.407 . . . . 0.0 110.559 179.669 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -68.45 -26.8 65.68 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.031 -179.589 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 6.9 tt -75.21 -46.38 34.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.776 -179.354 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 64.1 mt -81.15 -45.58 20.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -178.142 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.402 ' HB2' ' O ' ' A' ' 116' ' ' LYS . 17.5 mt-30 -59.09 -37.43 77.11 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 -178.66 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 10.1 t . . . . . 0 CA--C 1.531 0.245 0 N-CA-C 114.419 1.266 . . . . 0.0 114.419 -176.342 . . . . . . . . 0 0 . 1 . 041 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.994 0.426 . . . . 0.0 111.3 . . . . . . . . . 0 0 . 1 . 041 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 52.2 mt -108.79 150.61 27.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.987 -179.966 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 46.9 t -51.84 144.55 11.19 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.864 179.627 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 27.6 p -106.35 20.78 18.46 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.849 0.357 . . . . 0.0 111.902 -179.64 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 88.4 mt -115.41 155.83 26.7 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 178.632 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 46.8 mtp180 -121.45 129.88 53.24 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.873 0.368 . . . . 0.0 111.291 -179.277 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -107.74 94.06 4.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.781 178.846 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 67.75 51.45 0.8 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.282 -179.039 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 72.68 9.15 74.02 Favored Glycine 0 N--CA 1.451 -0.356 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.981 179.936 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -109.35 120.22 41.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.948 0.404 . . . . 0.0 111.014 -179.378 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 77' ' ' GLY . 20.7 mmm-85 -76.06 60.12 1.39 Allowed 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.67 -178.813 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . 0.43 ' SG ' ' CE1' ' A' ' 115' ' ' HIS . 0.1 OUTLIER 35.42 -85.56 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 113.801 1.037 . . . . 0.0 113.801 179.291 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 113.16 -29.35 8.06 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.705 -0.76 . . . . 0.0 111.822 -177.945 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 45.1 ttt85 -72.53 136.19 45.81 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.742 0.306 . . . . 0.0 110.485 179.435 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -50.46 157.02 0.77 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.003 0.43 . . . . 0.0 111.926 -179.327 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -86.13 147.13 26.29 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.135 178.988 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -107.98 -128.73 5.89 Favored Glycine 0 CA--C 1.518 0.267 0 C-N-CA 120.462 -0.875 . . . . 0.0 113.82 -178.694 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -108.74 15.11 23.89 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -178.852 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.413 ' HB2' ' HD3' ' A' ' 116' ' ' LYS . . . -100.62 154.77 18.3 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.058 0.456 . . . . 0.0 111.801 -179.431 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 28.6 p -119.51 -168.35 1.57 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.007 179.204 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -123.47 144.16 49.7 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.973 179.522 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 85.7 p -146.72 -174.54 4.5 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.022 0.439 . . . . 0.0 111.327 -179.292 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.409 ' HE3' ' HA ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -78.03 -39.86 40.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.735 178.849 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -54.29 -37.01 64.29 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.287 179.318 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.435 HG22 ' CG2' ' A' ' 119' ' ' ILE . 50.3 mt -72.65 -34.76 48.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.971 179.151 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.3 -36.89 80.04 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 121.473 0.654 . . . . 0.0 109.405 178.545 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.39 -44.97 77.58 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 114.86 -1.064 . . . . 0.0 109.941 179.512 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 25.1 t -61.9 -42.79 99.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.862 179.011 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 89' ' ' ILE . 97.0 mt -61.83 -41.47 90.82 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.122 179.031 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 53.9 m -59.5 -41.1 89.08 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 10.2 tp60 -64.7 -33.99 77.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.984 0.421 . . . . 0.0 110.08 179.209 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.85 -31.87 61.76 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.007 178.965 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 39.4 mmtt 61.46 69.86 0.63 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.563 -178.529 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 34.5 m -134.66 176.34 9.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.58 -0.737 . . . . 0.0 111.202 -179.222 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.7 mttm -94.5 75.27 3.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.253 -179.928 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 68.2 mt -144.79 99.22 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.492 179.307 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -139.79 165.16 28.04 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.312 179.686 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.9 135.87 40.12 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.179 0.514 . . . . 0.0 111.829 -179.172 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -86.55 123.14 31.43 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.096 178.411 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.9 mmmp? -67.14 -7.63 24.87 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -179.316 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 89.0 p -72.08 -26.23 62.07 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 120.593 0.235 . . . . 0.0 111.632 179.995 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -80.33 -164.06 0.64 Allowed 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -179.096 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.423 ' HB3' ' NH1' ' A' ' 107' ' ' ARG . 10.1 mtm105 -146.09 -61.96 0.32 Allowed 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.948 179.683 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 22.8 p80 -61.75 172.82 1.16 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.891 -178.971 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 83.5 mt -125.75 81.82 2.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.186 179.184 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -144.72 128.24 17.03 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.24 179.998 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 21.5 pt -118.55 163.48 15.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.908 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 8.3 p -82.38 160.63 22.75 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.464 179.559 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -60.85 -33.98 73.89 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.09 0.471 . . . . 0.0 110.199 179.924 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . 0.411 ' O ' ' HB2' ' A' ' 118' ' ' LEU . 53.5 t80 -49.75 -54.43 18.98 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.003 179.904 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . 0.43 ' CE1' ' SG ' ' A' ' 76' ' ' CYS . 18.1 m170 -76.69 -37.25 56.48 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -179.245 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.413 ' HD3' ' HB2' ' A' ' 83' ' ' ALA . 7.5 ttpp -55.61 -44.91 77.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.075 0.464 . . . . 0.0 110.658 -179.967 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -79.65 -37.58 35.66 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.231 -178.806 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.411 ' HB2' ' O ' ' A' ' 114' ' ' TYR . 6.0 tt -61.45 -31.71 71.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.279 179.977 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.435 ' CG2' HG22 ' A' ' 89' ' ' ILE . 89.9 mt -92.27 -52.96 9.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 -178.321 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -52.86 -40.06 63.1 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 113.682 0.993 . . . . 0.0 113.682 -178.125 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 80.4 p . . . . . 0 N--CA 1.469 0.485 0 N-CA-C 115.135 1.532 . . . . 0.0 115.135 -175.81 . . . . . . . . 0 0 . 1 . 042 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.163 0 CA-C-O 121.021 0.439 . . . . 0.0 111.371 . . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 28.2 mt -117.97 169.56 9.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.973 -179.813 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.421 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 13.8 t -66.41 150.57 48.7 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.099 -179.924 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 20.6 p -105.98 -5.41 19.59 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.67 -0.241 . . . . 0.0 111.515 179.48 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 86.3 mt -95.04 153.93 17.41 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 178.969 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 52.9 mtp180 -124.25 125.22 44.03 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.939 -179.73 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -101.93 107.46 18.62 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.979 0.419 . . . . 0.0 110.334 179.439 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 58.97 44.55 16.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.954 -179.575 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 85.71 -19.34 25.27 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.786 -0.721 . . . . 0.0 113.058 179.674 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -82.5 121.32 26.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.85 0.325 . . . . 0.0 111.009 -179.749 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.558 ' O ' ' N ' ' A' ' 77' ' ' GLY . 1.2 mmm180 -76.53 58.96 1.42 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.316 -179.524 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . 0.421 ' HB3' ' HB3' ' A' ' 67' ' ' CYS . 0.8 OUTLIER 40.22 -75.35 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 179.734 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.558 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 100.13 -25.35 28.63 Favored Glycine 0 N--CA 1.448 -0.515 0 N-CA-C 111.297 -0.721 . . . . 0.0 111.297 -178.939 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 45.8 ttt180 -69.06 147.55 51.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.812 0.339 . . . . 0.0 110.39 179.693 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.28 144.97 52.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.735 -179.316 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.38 152.53 44.87 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.01 179.115 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -114.51 -164.44 14.86 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.403 -0.903 . . . . 0.0 113.631 -178.93 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -84.85 13.15 6.19 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.637 -0.281 . . . . 0.0 111.747 -179.251 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -107.55 149.32 28.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.995 0.426 . . . . 0.0 111.278 179.936 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -125.59 134.47 51.92 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.71 179.77 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -49.1 112.65 0.66 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.15 179.11 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 11.6 p -115.19 -169.48 1.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.56 -178.63 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.424 ' NZ ' ' HB2' ' A' ' 87' ' ' LYS . 0.9 OUTLIER -77.26 -50.24 13.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.031 179.485 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.94 -39.31 62.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.661 -179.946 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 8.0 mt -66.92 -39.19 82.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 178.873 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 8.1 tm0? -59.72 -47.19 86.64 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.784 178.83 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.3 -41.73 97.48 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.006 179.488 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.409 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 27.2 t -57.67 -49.13 77.51 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 178.736 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 62.2 mt -57.02 -43.08 80.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.38 179.071 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.1 m -63.19 -37.8 88.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.157 -179.865 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -77.59 -37.06 51.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.945 0.403 . . . . 0.0 110.035 179.28 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.409 ' HG3' ' O ' ' A' ' 92' ' ' SER . 5.3 mtpm? -67.68 -38.01 83.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.148 178.9 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.25 78.43 0.25 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.633 -178.411 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 15.4 m -136.33 175.85 9.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.954 -179.354 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 12.9 mttm -88.92 70.35 8.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.934 0.397 . . . . 0.0 111.239 -179.701 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 45.2 mt -141.5 112.93 3.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.367 179.214 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -129.43 168.96 15.54 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.419 -179.702 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -95.92 118.51 32.69 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.112 0.482 . . . . 0.0 112.064 -179.544 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -69.55 129.82 40.75 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 177.897 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 5.1 mtpt -83.05 -10.41 58.74 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.875 -0.33 . . . . 0.0 111.804 -179.47 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 25.9 m -64.35 -35.87 82.27 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.857 0.361 . . . . 0.0 111.127 179.938 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.4 164.44 11.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.2 0.524 . . . . 0.0 112.095 -179.053 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 2.3 ttm-85 -116.85 -22.56 8.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.091 179.666 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 24.7 p80 -109.78 156.18 20.65 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.112 0.482 . . . . 0.0 111.726 -178.8 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 81.1 mt -115.48 79.99 1.37 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.82 178.886 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -141.09 98.0 3.29 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.126 -179.647 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 30.9 pt -77.91 164.45 3.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.896 -179.925 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 25.1 p -82.05 172.87 12.73 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.396 179.578 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -72.25 -33.28 67.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.208 0.528 . . . . 0.0 110.08 179.691 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -50.63 -61.45 2.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.4 -179.954 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -67.36 -32.95 74.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.991 -179.109 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 13.7 ttpp -59.22 -54.29 48.64 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.947 0.403 . . . . 0.0 110.811 -179.937 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -67.0 -39.54 87.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.959 -179.825 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.4 tt -60.91 -39.81 90.77 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.777 -179.116 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 66.2 mt -88.54 -38.34 11.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 113.334 0.865 . . . . 0.0 113.334 -177.809 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -70.81 -36.28 72.88 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 -178.289 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.7 m . . . . . 0 C--N 1.329 -0.325 0 N-CA-C 114.82 1.415 . . . . 0.0 114.82 -176.126 . . . . . . . . 0 0 . 1 . 043 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 . . . . . 0 N--CA 1.455 -0.196 0 CA-C-O 120.818 0.342 . . . . 0.0 110.675 . . . . . . . . . 0 0 . 1 . 043 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -128.43 145.25 51.15 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.243 0.544 . . . . 0.0 111.755 179.52 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 47.9 t -46.07 138.64 5.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.156 -0.929 . . . . 0.0 111.525 -179.67 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 19.6 p -99.68 25.36 7.24 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.355 -179.957 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.43 HD13 ' ND1' ' A' ' 115' ' ' HIS . 81.5 mt -111.34 148.01 33.9 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 178.944 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.418 ' HG2' ' HD3' ' A' ' 75' ' ' ARG . 61.1 mtp180 -114.04 108.39 16.94 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.515 -0.312 . . . . 0.0 111.321 -179.554 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -92.68 120.02 32.67 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 178.92 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 55.61 25.52 8.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.665 -179.066 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 95.51 -16.82 60.49 Favored Glycine 0 C--N 1.332 0.36 0 C-N-CA 120.949 -0.643 . . . . 0.0 113.257 179.361 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -88.4 140.78 29.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.043 0.449 . . . . 0.0 111.485 -179.564 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.473 ' O ' ' N ' ' A' ' 77' ' ' GLY . 1.0 OUTLIER -72.85 61.35 0.55 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.987 -178.722 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 5.2 t 45.19 -82.14 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 178.829 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 114.52 -24.07 11.6 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.127 -179.263 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 16.3 ttt180 -89.23 140.44 29.47 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.333 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.11 151.87 34.45 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.016 0.436 . . . . 0.0 111.745 -178.778 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.78 163.09 5.96 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.389 -179.757 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -124.65 -145.54 6.64 Favored Glycine 0 C--N 1.333 0.396 0 C-N-CA 120.505 -0.855 . . . . 0.0 113.872 -179.034 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.443 ' N ' ' OD1' ' A' ' 82' ' ' ASN . 0.7 OUTLIER -95.0 -13.88 24.85 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -178.41 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -81.18 164.14 22.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.213 0.53 . . . . 0.0 111.979 -179.174 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -130.33 165.38 22.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.2 179.62 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -95.99 136.98 35.71 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.107 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -145.14 -162.5 1.51 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.926 0.393 . . . . 0.0 111.186 -179.254 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.22 -42.16 32.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.073 179.266 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.3 ttm180 -52.68 -47.75 67.0 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.451 179.554 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.411 ' O ' HG13 ' A' ' 93' ' ' ILE . 27.5 mt -63.98 -36.2 76.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.293 -0.412 . . . . 0.0 109.945 179.326 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -59.43 -49.19 78.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.654 0.74 . . . . 0.0 109.146 178.296 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.29 -51.74 64.86 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.448 -1.251 . . . . 0.0 110.439 179.359 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -49.81 -48.19 50.88 Favored 'General case' 0 N--CA 1.461 0.109 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.656 179.368 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.44 HG21 ' CG2' ' A' ' 98' ' ' VAL . 73.0 mt -60.8 -51.9 67.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.463 179.215 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.9 m -50.03 -34.28 20.89 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.311 -179.82 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.16 -39.15 25.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.002 0.429 . . . . 0.0 110.185 179.694 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.476 ' HE2' ' HA ' ' A' ' 119' ' ' ILE . 35.6 mttp -65.76 -37.7 87.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.388 178.814 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 65.76 75.12 0.35 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.474 -178.305 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.44 ' CG2' HG21 ' A' ' 93' ' ' ILE . 10.0 m -130.14 160.2 41.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.13 -179.38 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 25.1 mttm -80.57 61.03 4.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.919 0.39 . . . . 0.0 111.429 -179.601 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 72.1 mt -131.52 107.64 13.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.253 179.07 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -124.66 149.53 47.05 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.384 179.917 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -84.22 124.96 31.76 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.072 0.463 . . . . 0.0 111.819 -179.628 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -64.77 137.06 57.57 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 177.609 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 4.0 mmtp -91.29 -23.35 20.17 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.628 -179.263 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 11.3 p -82.92 7.56 15.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.686 -0.234 . . . . 0.0 111.399 179.822 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -63.67 179.21 0.5 Allowed 'General case' 0 CA--C 1.519 -0.221 0 CA-C-O 121.458 0.646 . . . . 0.0 111.869 -179.499 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -114.1 -19.13 11.49 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.879 -179.869 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 16.7 p80 -158.94 -159.91 0.81 Allowed 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.487 -178.369 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 83.1 mt -119.49 -117.31 0.32 Allowed 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 178.539 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 59.79 121.38 0.01 OUTLIER 'General case' 0 C--N 1.34 0.156 0 CA-C-O 121.202 0.525 . . . . 0.0 111.882 179.456 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 35.1 pt -114.36 154.68 15.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.319 179.309 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 18.1 p -76.72 155.04 33.57 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.626 179.88 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.73 -37.1 58.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.114 0.483 . . . . 0.0 110.439 179.648 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 36.3 t80 -49.8 -59.12 4.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.17 -179.573 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . 0.43 ' ND1' HD13 ' A' ' 69' ' ' LEU . 23.7 m170 -67.51 -38.69 84.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.624 -179.504 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 8.2 ttpp -55.17 -51.22 67.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.072 0.463 . . . . 0.0 110.51 179.678 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . 0.413 ' ND2' ' OG ' ' A' ' 121' ' ' SER . 5.5 t-20 -68.82 -37.2 79.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.004 -179.967 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 4.1 tt -65.6 -35.98 82.41 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.649 -179.247 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.476 ' HA ' ' HE2' ' A' ' 96' ' ' LYS . 72.9 mt -88.39 -41.4 14.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 -177.864 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -72.29 -34.58 68.27 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 -178.243 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.413 ' OG ' ' ND2' ' A' ' 117' ' ' ASN . 17.8 m . . . . . 0 C--N 1.328 -0.367 0 N-CA-C 114.913 1.449 . . . . 0.0 114.913 -176.326 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 . . . . . 0 CA--C 1.522 -0.134 0 CA-C-O 120.813 0.339 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 044 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.08 140.86 49.15 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 121.401 0.62 . . . . 0.0 112.043 179.98 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 43.5 t -43.6 144.25 0.83 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 114.891 -1.049 . . . . 0.0 111.481 -179.81 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 31.2 p -105.78 24.99 11.4 Favored 'General case' 0 CA--C 1.528 0.126 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.439 -179.681 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 90.9 mt -113.07 149.04 34.02 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 178.445 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.44 ' HG2' ' HD3' ' A' ' 75' ' ' ARG . 17.1 mtp180 -113.79 142.36 46.17 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.908 0.385 . . . . 0.0 111.143 -179.527 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -121.64 99.39 6.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.868 178.912 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 65.15 29.98 11.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.586 -179.169 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 102.77 -22.43 37.18 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.802 -0.713 . . . . 0.0 113.382 179.232 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -88.6 126.59 35.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.277 0.561 . . . . 0.0 111.902 -179.468 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.44 ' HD3' ' HG2' ' A' ' 70' ' ' ARG . 7.0 tpp85 -69.12 63.18 0.13 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.105 -0.952 . . . . 0.0 112.175 -178.861 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 12.2 t 48.05 -86.38 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 178.463 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 114.44 -5.85 23.02 Favored Glycine 0 CA--C 1.522 0.497 0 C-N-CA 120.37 -0.919 . . . . 0.0 113.017 -179.262 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 56.6 ttt180 -104.7 143.17 33.46 Favored 'General case' 0 C--N 1.334 -0.105 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 179.214 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.02 162.76 5.33 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.005 0.431 . . . . 0.0 111.735 -178.734 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -78.71 165.12 23.98 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.821 -179.59 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -118.82 -135.59 5.21 Favored Glycine 0 C--N 1.334 0.462 0 C-N-CA 120.809 -0.71 . . . . 0.0 113.783 -179.139 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -111.21 -16.12 13.5 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 112.235 0.458 . . . . 0.0 112.235 -178.39 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.09 -161.86 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.839 0.352 . . . . 0.0 111.315 -179.701 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 32.4 p -162.97 150.79 13.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 179.731 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -76.85 140.63 40.68 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.247 -0.433 . . . . 0.0 109.848 178.906 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 90.8 p -145.02 -170.18 3.36 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.085 0.469 . . . . 0.0 111.328 -179.302 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.05 -40.42 38.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.052 178.46 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -53.27 -47.43 69.14 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 121.049 0.452 . . . . 0.0 110.323 179.561 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.425 HG23 ' CG2' ' A' ' 119' ' ' ILE . 49.7 mt -64.13 -36.26 76.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.289 179.426 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -62.12 -47.52 84.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.069 0.461 . . . . 0.0 109.915 179.216 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.9 tmtm? -61.67 -49.62 75.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.867 179.243 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 16.7 m -52.18 -43.6 64.24 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.211 179.117 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.416 HG23 ' CG2' ' A' ' 98' ' ' VAL . 97.2 mt -61.76 -52.1 64.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.141 -0.482 . . . . 0.0 109.962 178.8 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 40.1 m -49.63 -47.1 49.99 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.119 -179.845 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 41.9 tp60 -62.29 -47.7 83.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.993 0.425 . . . . 0.0 109.981 179.57 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 44.7 mttp -60.5 -42.27 96.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.067 178.755 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 2.2 mmtm 70.83 80.58 0.16 Allowed 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.451 -178.592 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.416 ' CG2' HG23 ' A' ' 93' ' ' ILE . 19.0 m -134.39 162.2 39.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.385 -178.965 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 9.9 mttm -81.28 57.78 3.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.303 -179.755 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 63.4 mt -134.87 105.49 6.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.541 179.511 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -127.77 158.27 38.13 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.243 179.849 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.435 HD23 ' NZ ' ' A' ' 104' ' ' LYS . 0.6 OUTLIER -84.43 131.8 34.63 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.292 0.568 . . . . 0.0 112.093 -179.497 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -77.98 143.66 37.39 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 177.839 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.435 ' NZ ' HD23 ' A' ' 102' ' ' LEU . 0.8 OUTLIER -95.46 -12.83 25.22 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.826 -0.35 . . . . 0.0 111.475 -179.721 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.2 p -87.63 2.89 49.72 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 120.539 0.209 . . . . 0.0 111.321 179.61 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -68.17 -138.54 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 116.701 -0.227 . . . . 0.0 111.021 -179.666 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -161.27 -67.39 0.06 Allowed 'General case' 0 N--CA 1.455 -0.218 0 CA-C-O 121.114 0.483 . . . . 0.0 110.763 179.991 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 17.0 p80 -86.54 176.75 7.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.551 -179.371 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 72.4 mt -124.93 66.34 1.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.002 179.149 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -136.32 128.75 30.3 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.265 -179.71 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 18.3 pt -105.62 -176.75 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.892 179.905 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 20.8 p -98.22 158.33 15.63 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.43 179.604 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.16 -32.82 66.79 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.005 0.431 . . . . 0.0 110.572 179.7 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -57.48 -62.18 1.96 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.642 -179.502 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 19.3 m170 -65.24 -36.6 84.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.579 -179.219 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 9.2 ttpp -58.37 -54.63 44.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.982 0.42 . . . . 0.0 110.782 -179.904 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . 0.415 ' O ' ' HB2' ' A' ' 121' ' ' SER . 14.4 t-20 -67.12 -34.76 78.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.552 -179.665 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 4.2 tt -64.2 -42.28 96.71 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.846 -179.246 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.425 ' CG2' HG23 ' A' ' 89' ' ' ILE . 77.2 mt -84.47 -36.89 12.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 -177.878 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -72.34 -33.65 67.45 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 -178.236 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.415 ' HB2' ' O ' ' A' ' 117' ' ' ASN . 0.5 OUTLIER . . . . . 0 N--CA 1.465 0.306 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 -176.895 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 . . . . . 0 N--CA 1.455 -0.223 0 CA-C-O 120.837 0.351 . . . . 0.0 110.512 . . . . . . . . . 0 0 . 1 . 045 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.62 169.63 8.68 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.07 0.462 . . . . 0.0 111.699 -179.975 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 15.8 t -70.44 130.04 40.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.947 -179.857 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 26.6 p -90.25 39.0 0.95 Allowed 'General case' 0 N--CA 1.462 0.137 0 N-CA-C 112.13 0.419 . . . . 0.0 112.13 -179.326 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 76.0 mt -126.28 162.43 25.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.784 0.326 . . . . 0.0 110.447 177.812 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.433 ' HG2' ' HD3' ' A' ' 75' ' ' ARG . 19.3 mtp-105 -134.68 105.46 6.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.828 179.869 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -93.56 118.55 31.5 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 179.064 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 54.73 29.35 11.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.363 -178.934 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 88.26 -7.99 79.91 Favored Glycine 0 C--N 1.332 0.356 0 CA-C-N 115.736 -0.666 . . . . 0.0 113.344 179.415 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -87.92 126.84 35.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 117.186 0.493 . . . . 0.0 110.515 179.424 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.551 ' O ' ' N ' ' A' ' 77' ' ' GLY . 0.0 OUTLIER -74.27 57.35 0.67 Allowed 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.506 -179.009 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t 47.23 -71.47 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 113.607 0.965 . . . . 0.0 113.607 179.774 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.551 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 99.89 -9.52 60.07 Favored Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 111.39 -0.684 . . . . 0.0 111.39 -178.494 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 57.3 ttt-85 -100.46 143.01 31.15 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 179.21 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.53 166.43 6.74 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.019 0.438 . . . . 0.0 111.891 -178.714 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.27 151.19 36.85 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.399 -179.489 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -104.75 -125.75 5.65 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.7 -0.762 . . . . 0.0 113.753 -179.038 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -117.9 -29.3 5.7 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 111.968 0.358 . . . . 0.0 111.968 -178.122 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.3 159.58 32.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.037 0.446 . . . . 0.0 111.826 -179.279 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -126.27 143.76 51.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.679 179.856 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -64.45 135.01 55.65 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 178.955 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -137.18 -167.27 2.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.142 0.496 . . . . 0.0 111.857 -178.87 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.414 ' O ' ' HB3' ' A' ' 90' ' ' GLN . 2.5 mmtm -77.38 -43.88 31.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.277 178.94 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.4 ttm180 -52.69 -55.77 20.24 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.443 -0.798 . . . . 0.0 110.33 179.392 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 83.5 mt -51.94 -35.91 19.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.66 179.785 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.414 ' HB3' ' O ' ' A' ' 87' ' ' LYS . 0.5 OUTLIER -65.33 -46.56 79.81 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 178.972 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.71 -39.38 80.62 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.678 179.235 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 54.9 m -63.85 -45.39 89.7 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.797 178.907 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 86.5 mt -62.65 -30.19 48.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.015 178.883 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 33.9 m -73.76 -33.19 64.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.038 -179.975 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -81.01 -26.98 36.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.889 0.376 . . . . 0.0 110.312 179.451 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.1 mttm -78.59 -42.73 28.29 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.399 178.938 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 3.6 mmmt 67.9 67.68 0.35 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.655 -178.266 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 28.6 m -122.67 174.84 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.97 -179.521 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 32.7 mttp -89.44 41.47 1.04 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.395 -179.632 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 75.6 mt -108.66 116.86 52.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.836 0.351 . . . . 0.0 110.18 179.212 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -141.16 157.76 44.84 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.637 -179.935 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.452 ' HG ' ' N ' ' A' ' 103' ' ' ASP . 0.6 OUTLIER -86.15 146.39 26.6 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.225 0.536 . . . . 0.0 111.845 -179.308 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.452 ' N ' ' HG ' ' A' ' 102' ' ' LEU . 66.7 t0 -95.09 138.8 32.32 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 177.676 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 20.3 mmtm -96.89 13.24 29.45 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -179.102 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.8 p -95.36 -24.63 16.63 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.779 0.323 . . . . 0.0 111.18 -179.749 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -65.74 174.48 2.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.168 0.508 . . . . 0.0 111.845 -179.333 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 45.3 mtm180 -121.03 -0.86 9.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.877 179.398 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . 0.413 ' HB2' ' CD2' ' A' ' 110' ' ' TYR . 7.8 p80 -136.28 159.44 41.73 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 121.046 0.45 . . . . 0.0 111.74 -178.762 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 14.7 mt -117.3 59.91 0.76 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.627 179.652 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.413 ' CD2' ' HB2' ' A' ' 108' ' ' HIS . 80.7 m-85 -124.45 122.96 39.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.946 179.465 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 29.6 pt -103.94 168.52 2.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.798 179.846 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 25.8 p -79.69 148.99 31.35 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.55 179.688 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -52.59 -32.85 43.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.132 0.491 . . . . 0.0 110.184 179.833 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -52.9 -55.83 20.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.207 179.972 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 10.7 m170 -68.04 -36.03 79.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.635 -179.435 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.405 ' O ' ' HB2' ' A' ' 120' ' ' GLN . 4.2 ttpp -58.99 -50.92 72.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.978 0.418 . . . . 0.0 110.293 179.522 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -67.02 -34.37 77.59 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.21 -179.519 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 4.6 tt -68.71 -42.84 77.13 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.961 -179.175 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 60.1 mt -83.88 -36.79 12.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 -177.839 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.405 ' HB2' ' O ' ' A' ' 116' ' ' LYS . 1.1 mt-30 -73.14 -38.12 66.37 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 -178.565 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 47.4 m . . . . . 0 C--N 1.326 -0.432 0 N-CA-C 114.859 1.429 . . . . 0.0 114.859 -175.908 . . . . . . . . 0 0 . 1 . 046 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 . . . . . 0 N--CA 1.455 -0.213 0 CA-C-O 120.713 0.292 . . . . 0.0 110.589 . . . . . . . . . 0 0 . 1 . 046 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 55.9 mt -97.28 148.29 23.27 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.468 179.535 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 41.6 t -48.93 151.82 1.17 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.748 179.686 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 11.0 p -110.55 32.88 4.87 Favored 'General case' 0 N--CA 1.462 0.153 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -179.252 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 96.9 mt -111.72 157.07 20.94 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 110.197 -0.297 . . . . 0.0 110.197 177.938 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.456 ' HG2' ' HD2' ' A' ' 75' ' ' ARG . 14.4 mtp180 -122.67 114.09 20.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.517 -179.647 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -101.7 106.03 17.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.038 178.96 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 57.21 43.7 23.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.716 -179.396 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 84.65 -11.41 59.28 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.956 -0.64 . . . . 0.0 113.302 179.518 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -88.51 130.23 35.27 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.982 0.391 . . . . 0.0 111.279 -179.378 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.456 ' HD2' ' HG2' ' A' ' 70' ' ' ARG . 35.2 mmm-85 -81.56 62.09 5.27 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.875 -178.954 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 16.3 t 40.29 -86.7 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 179.073 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 108.03 -10.95 37.45 Favored Glycine 0 C--N 1.334 0.448 0 C-N-CA 120.516 -0.849 . . . . 0.0 112.848 -179.602 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 42.2 ttt180 -91.74 153.86 19.34 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.783 0.325 . . . . 0.0 110.436 179.86 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.22 139.82 54.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.848 -179.311 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.79 149.84 29.92 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.046 179.006 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -107.39 -130.45 6.38 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.361 -0.923 . . . . 0.0 114.059 -178.615 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -115.76 -3.55 12.23 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 -178.169 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.424 ' O ' ' HA ' ' A' ' 110' ' ' TYR . . . -86.74 -174.8 5.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.943 0.402 . . . . 0.0 111.646 -179.151 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.5 m -140.19 178.83 7.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.07 179.612 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -112.04 89.9 3.19 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.751 -0.462 . . . . 0.0 109.751 178.971 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 79.9 p -87.51 -171.41 3.44 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.503 -178.866 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.4 mmtm -78.08 -38.26 44.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.968 179.05 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -53.85 -46.32 71.19 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.404 HG21 HG23 ' A' ' 119' ' ' ILE . 63.1 mt -62.4 -37.64 79.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.34 179.42 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.91 -52.06 65.6 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.384 0.612 . . . . 0.0 109.437 178.591 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.75 -38.32 75.15 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.043 -0.98 . . . . 0.0 109.746 179.199 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.7 t -60.6 -51.52 69.06 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.298 179.053 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 98.6 mt -56.37 -47.82 80.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.368 179.225 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 49.2 m -55.79 -42.96 76.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.158 -179.784 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -69.69 -31.47 69.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.886 0.374 . . . . 0.0 110.217 179.876 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -72.79 -39.42 66.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.237 0.541 . . . . 0.0 109.582 178.321 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 20.8 mttp 67.34 67.19 0.39 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.446 -178.692 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 23.7 m -126.15 -175.96 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.372 -179.057 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 8.0 mmtm -100.28 68.51 1.42 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.251 -179.822 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 61.3 mt -141.89 100.18 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.85 0.357 . . . . 0.0 110.807 179.518 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -126.82 152.44 46.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.263 179.497 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 12.1 tp -71.46 138.44 49.01 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.334 0.588 . . . . 0.0 111.802 -179.488 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -71.17 107.67 4.31 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.268 177.972 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 9.1 mmtp -64.37 -15.66 60.86 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 111.665 0.246 . . . . 0.0 111.665 -179.414 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 10.7 p -100.24 22.36 11.6 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.608 0.242 . . . . 0.0 111.106 -179.922 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -78.32 -178.5 5.75 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-O 121.256 0.551 . . . . 0.0 111.675 -179.774 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.23 -35.01 5.14 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.108 -179.817 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 28.6 p80 -145.18 -162.58 1.53 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.054 -178.695 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 57.3 mt -120.26 -126.58 0.27 Allowed 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 178.629 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.424 ' HA ' ' O ' ' A' ' 83' ' ' ALA . 91.5 m-85 57.04 84.62 0.09 Allowed 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 118.344 0.52 . . . . 0.0 111.525 179.356 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 31.6 pt -78.45 173.38 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.4 179.42 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 22.0 p -84.12 157.25 21.78 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.621 179.831 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.77 -32.22 69.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.129 0.49 . . . . 0.0 110.155 179.591 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -52.66 -58.18 7.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.343 179.991 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 11.9 m80 -68.46 -34.28 75.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.602 -179.567 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.439 ' HE2' ' NE2' ' A' ' 120' ' ' GLN . 1.1 ttpm? -58.55 -48.66 80.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.114 0.483 . . . . 0.0 110.598 179.832 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -71.63 -41.08 69.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.13 -179.628 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 3.4 tt -62.65 -33.5 75.17 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.828 -179.058 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.404 HG23 HG21 ' A' ' 89' ' ' ILE . 63.7 mt -94.63 -35.75 6.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 -177.741 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.439 ' NE2' ' HE2' ' A' ' 116' ' ' LYS . 10.7 mt-30 -68.71 -46.53 68.7 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 -178.269 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 2.2 m . . . . . 0 C--N 1.327 -0.388 0 N-CA-C 114.898 1.444 . . . . 0.0 114.898 -175.088 . . . . . . . . 0 0 . 1 . 047 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 . . . . . 0 N--CA 1.455 -0.214 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 . . . . . . . . . 0 0 . 1 . 047 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -124.36 155.31 38.99 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-O 121.211 0.529 . . . . 0.0 111.944 179.486 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 46.7 t -49.4 158.43 0.41 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.356 -179.586 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 18.9 m -127.95 32.63 4.9 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 121.019 0.437 . . . . 0.0 111.379 -179.971 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 68.9 mt -117.63 158.11 25.22 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 178.851 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 50.0 mtt-85 -123.16 122.5 38.58 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.328 -179.445 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 74' ' ' GLU . 10.1 tt0 -92.47 120.44 32.96 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.017 178.986 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 50.51 40.2 22.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.038 0.447 . . . . 0.0 110.611 -179.453 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 78.7 -1.01 74.87 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.955 179.895 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' A' ' 71' ' ' GLU . 1.3 mm-40 -109.19 142.73 39.58 Favored 'General case' 0 C--N 1.334 -0.08 0 CA-C-O 121.11 0.481 . . . . 0.0 111.637 -179.77 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.6 mmm-85 -62.15 152.86 31.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.53 -0.759 . . . . 0.0 112.503 -179.036 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . 0.455 ' SG ' ' CE1' ' A' ' 115' ' ' HIS . 1.7 t -69.29 -150.87 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.961 179.199 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -177.73 43.64 0.09 OUTLIER Glycine 0 C--N 1.335 0.518 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.593 179.889 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 17.9 ttt85 -152.02 150.45 29.98 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 178.962 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.58 161.38 20.44 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.002 0.43 . . . . 0.0 111.728 -178.623 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -83.24 157.68 22.58 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.781 -179.523 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -122.75 -162.6 11.58 Favored Glycine 0 C--N 1.335 0.519 0 C-N-CA 120.756 -0.735 . . . . 0.0 113.423 -179.388 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -73.5 -15.2 61.32 Favored 'General case' 0 N--CA 1.462 0.173 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -178.916 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -74.57 145.56 43.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.944 0.402 . . . . 0.0 111.417 -179.763 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 50.3 m -123.64 140.92 52.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.69 179.73 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -61.46 114.34 3.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.11 -0.496 . . . . 0.0 109.992 179.271 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 79.8 p -119.53 -162.22 0.91 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.994 -179.206 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.3 mmtp -81.11 -44.74 17.5 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.699 178.751 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? -52.5 -39.48 61.32 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.322 -179.327 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.402 ' O ' HG13 ' A' ' 93' ' ' ILE . 78.5 mt -68.26 -35.58 71.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.825 0.345 . . . . 0.0 110.254 179.435 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.96 -44.9 83.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.552 0.691 . . . . 0.0 109.192 178.409 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 19.2 mmtt -59.93 -50.75 72.55 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 114.821 -1.081 . . . . 0.0 110.392 179.101 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 51.7 p -56.8 -41.76 78.31 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.46 179.357 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 89' ' ' ILE . 85.0 mt -62.88 -40.21 87.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 178.722 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 12.8 t -65.45 -34.36 78.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.375 -179.907 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -73.9 -35.73 64.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.005 0.431 . . . . 0.0 110.189 179.868 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.3 mtpm? -75.51 -37.81 59.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.82 178.66 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 6.6 mtmm 66.23 74.75 0.35 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.764 -178.671 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 17.0 m -127.06 -178.9 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.147 -179.321 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 12.2 mttm -102.07 71.61 1.27 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.454 -179.719 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 54.9 mt -137.81 109.9 6.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.194 179.093 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.62 174.37 7.48 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.719 -179.835 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.2 tp -92.01 131.38 37.34 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.811 -179.29 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.4 ' OD1' ' N ' ' A' ' 105' ' ' SER . 15.6 t0 -67.05 125.51 26.22 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 178.356 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 33.7 mtmm -76.43 -30.66 57.49 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -178.724 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 105' ' ' SER . . . . . 0.4 ' N ' ' OD1' ' A' ' 103' ' ' ASP . 0.4 OUTLIER -68.09 -21.16 64.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.632 0.253 . . . . 0.0 110.975 -179.957 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -48.12 172.01 0.01 OUTLIER 'General case' 0 CA--C 1.521 -0.172 0 CA-C-O 121.292 0.568 . . . . 0.0 111.787 -179.31 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.14 -36.33 2.53 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.862 -179.267 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 10.7 p80 -112.77 -170.41 1.66 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.355 -179.21 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 46.5 mt -136.2 80.75 1.84 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.607 178.642 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -149.02 104.95 3.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.9 -178.736 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 21.1 pt -79.91 -175.98 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.991 -179.997 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 19.6 p -101.97 169.4 8.79 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.473 179.464 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -69.1 -30.47 68.78 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.115 0.483 . . . . 0.0 110.152 179.678 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -55.87 -61.16 2.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.204 179.973 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . 0.455 ' CE1' ' SG ' ' A' ' 76' ' ' CYS . 13.7 m170 -68.28 -37.4 80.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.708 -179.4 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 7.9 ttpp -54.63 -52.67 61.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.959 0.409 . . . . 0.0 110.47 179.846 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 20.0 t30 -70.8 -35.62 72.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.317 -179.551 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 4.5 tt -63.72 -37.34 86.98 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.636 -179.366 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 54.9 mt -91.15 -48.42 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 -178.28 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -59.21 -33.56 71.12 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 -178.344 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 83.3 p . . . . . 0 N--CA 1.465 0.319 0 N-CA-C 114.503 1.297 . . . . 0.0 114.503 -176.241 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 33.4 t . . . . . 0 N--CA 1.481 1.08 0 CA-C-O 119.993 -0.051 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -114.24 26.15 10.51 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 121.149 0.499 . . . . 0.0 111.523 179.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -157.21 14.59 0.26 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.259 177.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -110.03 18.85 28.29 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.351 -179.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.73 -177.8 3.77 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -116.76 164.24 14.94 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.087 0.47 . . . . 0.0 111.84 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 38.2 t -60.32 148.95 35.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.198 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 22.4 p -111.64 38.46 2.61 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.391 -179.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.415 HD11 ' ND1' ' A' ' 115' ' ' HIS . 32.7 mt -131.69 145.84 51.86 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.886 -0.412 . . . . 0.0 109.886 178.705 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 53.7 mtp180 -116.06 112.22 21.45 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.437 -179.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -89.93 90.68 8.27 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 178.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.2 t0 68.27 40.1 2.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.514 -179.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 89.01 -3.95 84.69 Favored Glycine 0 CA--C 1.52 0.369 0 C-N-CA 120.852 -0.69 . . . . 0.0 113.159 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -93.41 122.5 35.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 117.071 0.436 . . . . 0.0 111.343 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.517 ' O ' ' N ' ' A' ' 77' ' ' GLY . 3.6 tpp180 -77.33 57.92 1.57 Allowed 'General case' 0 C--O 1.225 -0.21 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.242 -179.318 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.3 t 41.87 -76.39 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 109.45 -34.08 5.71 Favored Glycine 0 N--CA 1.45 -0.367 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 -178.515 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 39.1 ttt180 -75.44 138.71 41.82 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 178.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.08 167.33 3.05 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.046 0.45 . . . . 0.0 111.9 -178.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -78.57 148.86 33.16 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.527 -179.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -107.03 -149.03 15.46 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.748 -0.739 . . . . 0.0 113.457 -179.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -95.73 -3.54 45.74 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -178.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.404 ' HB1' ' CD ' ' A' ' 116' ' ' LYS . . . -83.28 167.68 17.4 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.899 0.38 . . . . 0.0 111.446 -179.683 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.27 149.14 51.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.594 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -79.86 112.17 16.89 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 178.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 89.5 p -115.21 -168.21 1.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.19 0.519 . . . . 0.0 111.611 -178.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.9 -44.32 22.95 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.617 179.616 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.24 -42.83 70.33 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.476 179.326 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 39.9 mt -65.17 -41.23 91.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.133 179.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.55 -51.82 68.2 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-O 121.483 0.658 . . . . 0.0 109.447 178.606 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.91 -44.5 86.87 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 114.857 -1.065 . . . . 0.0 110.073 179.191 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 31.7 t -56.19 -45.97 79.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.015 178.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.02 -49.51 84.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.318 179.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.74 -45.13 58.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.181 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.89 -47.44 84.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.837 0.351 . . . . 0.0 110.114 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.401 ' HE2' HG22 ' A' ' 122' ' ' VAL . 1.3 mtpm? -61.33 -34.77 75.8 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 178.755 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.5 mmtp 60.84 74.61 0.44 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.496 -0.774 . . . . 0.0 109.657 -178.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 16.3 m -129.68 174.21 12.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.242 -179.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 45.1 mttm -88.48 63.16 6.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.531 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 32.5 mt -133.41 109.66 13.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.172 179.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -131.98 154.48 49.28 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.829 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 16.9 tp -69.57 142.99 53.47 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.342 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -91.32 125.61 36.14 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 177.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 7.7 mtmt -85.74 -12.68 50.46 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -178.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.2 p -76.35 -3.69 38.19 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.212 179.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -85.07 175.37 9.06 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 121.157 0.503 . . . . 0.0 112.04 -179.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -126.11 -15.28 5.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.676 179.431 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 29.9 p80 -118.61 166.37 12.82 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.211 0.529 . . . . 0.0 111.667 -178.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 62.2 mt -122.95 77.65 1.47 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.739 178.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -143.85 120.4 11.06 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.176 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 35.6 pt -100.15 170.95 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 16.4 p -84.59 164.12 18.89 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.473 179.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -64.1 -34.0 77.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.138 0.494 . . . . 0.0 110.335 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -54.51 -61.19 2.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.318 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . 0.415 ' ND1' HD11 ' A' ' 69' ' ' LEU . 23.6 m170 -64.1 -34.23 77.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.778 -179.325 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.404 ' CD ' ' HB1' ' A' ' 83' ' ' ALA . 14.8 ttpp -58.98 -53.94 52.78 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.058 0.456 . . . . 0.0 110.553 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -63.45 -46.32 86.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.92 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 4.3 tt -56.44 -45.29 80.86 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.011 -178.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 81.2 mt -77.24 -38.57 27.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -178.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -70.07 -38.39 75.72 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 -178.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.09 30.34 0.6 Allowed 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 114.802 1.408 . . . . 0.0 114.802 -175.355 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.401 HG22 ' HE2' ' A' ' 96' ' ' LYS . 78.0 t -106.7 -22.73 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 C-N-CA 120.498 -0.481 . . . . 0.0 109.97 177.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.424 ' NH1' ' HB2' ' A' ' 123' ' ' ARG . 6.6 mtm105 -114.58 25.95 10.6 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.622 178.46 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -171.21 92.79 0.16 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.782 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -159.58 -38.61 0.06 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.746 -178.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 3.3 ttt85 -141.14 175.13 9.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.06 179.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -149.66 19.97 0.92 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.855 0.36 . . . . 0.0 111.035 179.235 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -159.27 130.68 6.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 109.899 179.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.03 -35.88 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.069 -179.326 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -162.88 -28.69 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 CA-C-N 115.804 -0.635 . . . . 0.0 112.369 179.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 9.3 t . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.519 179.148 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.8 p . . . . . 0 N--CA 1.484 1.24 0 CA-C-O 121.243 0.544 . . . . 0.0 111.412 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -107.06 86.1 2.25 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.233 179.073 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -154.25 16.18 0.47 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.414 178.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -120.58 53.35 0.69 Allowed Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.888 -0.672 . . . . 0.0 111.663 -179.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.47 -178.08 4.3 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.041 0.448 . . . . 0.0 111.214 -179.46 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 14.0 mt -124.3 146.65 48.66 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.351 179.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.429 ' O ' ' NH2' ' A' ' 75' ' ' ARG . 51.5 t -46.92 158.42 0.13 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.935 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 28.4 p -122.71 31.95 5.9 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -179.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 75.3 mt -122.43 163.26 20.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.78 0.324 . . . . 0.0 110.196 178.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 28.7 mtp180 -117.17 148.28 41.72 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.706 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -118.42 100.95 7.8 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.951 179.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 59.15 42.38 18.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.457 -179.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 84.36 -9.12 65.23 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.938 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -106.01 122.15 45.57 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-O 121.171 0.51 . . . . 0.0 111.246 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.429 ' NH2' ' O ' ' A' ' 67' ' ' CYS . 15.0 tpt180 -53.86 141.61 26.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.515 -0.766 . . . . 0.0 112.495 -179.072 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 34.7 t -58.0 -72.65 0.09 Allowed 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.728 178.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 95.45 -22.53 38.35 Favored Glycine 0 C--N 1.331 0.296 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.936 179.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 50.1 ttt85 -66.53 140.27 57.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.802 0.334 . . . . 0.0 110.618 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -50.08 150.77 2.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.589 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.78 152.34 44.71 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.211 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -100.85 -131.58 7.45 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.536 -0.84 . . . . 0.0 113.761 -178.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -119.21 7.2 11.26 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -178.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -115.34 173.87 6.29 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.038 0.447 . . . . 0.0 111.504 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.7 m -133.13 160.37 37.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.572 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -75.08 142.75 43.67 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.659 -0.496 . . . . 0.0 109.659 178.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 60.6 p -149.27 -164.47 2.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.024 0.44 . . . . 0.0 111.457 -179.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.14 -44.44 25.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.322 179.184 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.81 -41.79 64.5 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.503 -0.772 . . . . 0.0 110.723 179.665 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 20.6 mt -69.0 -41.88 81.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.978 179.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -57.58 -44.66 85.49 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-O 121.649 0.737 . . . . 0.0 109.155 178.241 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.8 mmtp -65.49 -42.49 92.08 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 114.479 -1.237 . . . . 0.0 110.131 179.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.488 ' HA ' ' HD3' ' A' ' 123' ' ' ARG . 59.1 m -60.99 -44.64 97.1 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.382 179.558 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 95.3 mt -63.88 -41.83 93.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.063 0.458 . . . . 0.0 109.827 178.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 20.6 t -55.34 -43.78 75.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.274 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -67.51 -25.31 65.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.86 0.362 . . . . 0.0 110.364 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 27.0 mttp -84.89 -38.44 19.41 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.069 178.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 33.4 mmtm 63.78 61.58 0.97 Allowed 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.55 -178.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 34.7 m -112.84 168.63 5.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.17 -179.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 53.4 mttm -88.35 43.57 1.14 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.591 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 29.6 mt -116.93 100.01 9.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.959 0.409 . . . . 0.0 109.929 178.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -118.66 167.93 11.19 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.722 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.1 tt -87.1 117.54 25.9 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.912 -179.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -63.23 140.88 58.92 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 177.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 22.7 mttm -99.72 13.41 33.74 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.963 -179.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 8.4 t -91.64 -16.71 26.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.679 0.276 . . . . 0.0 110.943 179.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -78.71 160.64 27.37 Favored 'General case' 0 N--CA 1.457 -0.121 0 CA-C-O 121.101 0.476 . . . . 0.0 112.028 -179.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 36.3 mtp180 -109.67 -3.15 17.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.503 -0.772 . . . . 0.0 111.103 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . 0.403 ' HB2' ' CE1' ' A' ' 110' ' ' TYR . 12.9 p80 -131.35 166.59 20.91 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.068 0.461 . . . . 0.0 111.574 -178.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 70.2 mt -120.11 85.33 2.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.052 178.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.403 ' CE1' ' HB2' ' A' ' 108' ' ' HIS . 85.1 m-85 -142.87 130.59 21.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.312 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 34.1 pt -111.42 167.78 5.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.949 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 25.5 p -90.45 164.38 14.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.598 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -62.29 -29.27 70.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.082 0.467 . . . . 0.0 110.295 179.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -56.88 -61.91 2.11 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.353 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 30.8 m170 -71.62 -30.62 65.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.644 -179.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 10.4 ttpp -59.13 -53.32 59.68 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.11 0.481 . . . . 0.0 110.397 179.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -67.63 -40.23 84.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.025 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 6.2 tt -62.05 -37.73 86.08 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.03 -179.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 84.5 mt -85.69 -41.34 15.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 -178.009 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -63.65 -46.15 86.95 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 -177.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 56.1 p -90.08 47.5 1.46 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 114.502 1.297 . . . . 0.0 114.502 -175.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 93.7 t -121.65 -40.83 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 177.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.488 ' HD3' ' HA ' ' A' ' 92' ' ' SER . 6.9 mtp85 -93.87 -0.3 55.8 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.168 177.083 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -128.44 109.86 11.79 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -163.16 101.79 0.97 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.002 0.429 . . . . 0.0 111.724 -179.382 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -142.61 169.11 18.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.861 178.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.91 93.33 2.32 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.791 0.329 . . . . 0.0 111.216 179.601 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 47.83 -167.67 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.729 179.159 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 21.2 tttm -151.65 -81.27 0.1 Allowed 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.202 179.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 158.65 127.66 0.94 Allowed Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.599 -0.81 . . . . 0.0 112.356 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 93.5 p . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.197 -0.906 . . . . 0.0 110.678 179.874 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 9.1 p . . . . . 0 N--CA 1.485 1.29 0 CA-C-O 121.14 0.495 . . . . 0.0 111.833 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -133.79 111.81 10.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.611 178.213 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -141.34 29.57 1.79 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.59 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -145.39 59.96 0.5 Allowed Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 121.047 -0.597 . . . . 0.0 111.927 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.406 ' O ' ' HA ' ' A' ' 79' ' ' ALA . 0.0 OUTLIER -107.95 176.96 4.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.845 0.355 . . . . 0.0 111.112 -179.389 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 26.9 mt -106.91 150.76 26.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.778 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 42.8 t -55.06 160.61 1.99 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.817 179.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 17.3 p -120.41 26.14 9.37 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.684 0.278 . . . . 0.0 111.722 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 64.7 mt -111.59 164.78 12.62 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 178.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 21.6 mtp85 -134.51 129.84 35.73 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.837 0.351 . . . . 0.0 110.875 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -105.41 107.51 18.53 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.945 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 59.16 50.81 7.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.676 -179.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 66.14 9.6 48.77 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.837 -0.697 . . . . 0.0 113.033 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -112.79 125.03 53.89 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 121.011 0.434 . . . . 0.0 110.769 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.35 133.15 55.52 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.76 -0.654 . . . . 0.0 112.065 -178.798 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 42.4 t -56.84 -53.5 57.19 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.763 179.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 73.56 -11.77 5.24 Favored Glycine 0 CA--C 1.521 0.41 0 CA-C-N 115.944 -0.571 . . . . 0.0 113.618 179.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 38.2 ttt85 -73.05 143.23 47.56 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 117.114 0.457 . . . . 0.0 109.955 -179.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.406 ' HA ' ' O ' ' A' ' 65' ' ' GLN . . . -53.1 148.24 8.43 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.588 -179.43 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.63 157.13 35.9 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.867 178.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -114.35 -135.26 5.97 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.157 -1.021 . . . . 0.0 113.947 -178.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -111.81 15.34 20.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.463 -0.369 . . . . 0.0 111.785 -178.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -106.75 176.42 5.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.024 0.44 . . . . 0.0 111.597 -179.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 48.2 m -145.97 141.21 27.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.839 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -66.48 113.54 4.79 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.728 179.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 97.8 p -118.93 -172.23 2.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.991 0.424 . . . . 0.0 111.612 -179.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.67 -41.59 45.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.502 179.032 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -57.06 -50.7 71.95 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.106 179.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.402 HG21 HG21 ' A' ' 119' ' ' ILE . 63.2 mt -58.76 -40.92 81.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.832 179.078 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 18.7 tm0? -56.36 -46.56 79.94 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 121.548 0.689 . . . . 0.0 109.25 178.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp -63.8 -45.58 89.0 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 114.73 -1.123 . . . . 0.0 110.113 179.155 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 41.6 m -56.91 -36.96 70.78 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.277 179.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 93.9 mt -70.9 -48.1 58.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.215 179.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 32.6 t -52.17 -39.39 60.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.059 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -68.61 -41.74 79.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.09 0.472 . . . . 0.0 109.881 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.437 ' HE3' ' CG2' ' A' ' 122' ' ' VAL . 61.0 mttp -60.06 -40.0 87.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.583 179.192 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 96' ' ' LYS . 1.8 mmtm 68.0 58.91 0.46 Allowed 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.326 -178.053 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 31.1 m -115.59 170.61 5.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.602 -179.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.0 mmtm -91.64 40.9 1.05 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.711 -179.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 31.0 mt -113.71 118.61 58.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.921 0.391 . . . . 0.0 110.16 178.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -134.91 173.04 12.16 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.414 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.409 ' HG ' ' N ' ' A' ' 103' ' ' ASP . 1.2 tp -88.7 136.02 33.21 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.38 0.61 . . . . 0.0 112.118 -179.523 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.409 ' N ' ' HG ' ' A' ' 102' ' ' LEU . 23.9 t0 -80.16 135.73 36.36 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 177.336 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 16.4 mttm -93.07 -22.47 19.1 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.35 -179.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 34.4 t -73.95 -4.37 34.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.581 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.92 -165.91 0.02 OUTLIER 'General case' 0 CA--C 1.522 -0.104 0 CA-C-O 121.241 0.543 . . . . 0.0 111.69 -179.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.8 ttp180 -128.82 -35.31 1.89 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.379 -179.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 14.6 p80 -132.34 174.71 9.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.114 0.483 . . . . 0.0 111.724 -178.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 32.3 mt -110.86 73.32 0.82 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.476 179.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -133.4 120.89 21.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.237 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 34.1 pt -100.14 160.02 3.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.986 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 7.6 p -76.0 160.19 30.09 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.501 179.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -62.63 -33.72 75.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.085 0.469 . . . . 0.0 110.435 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -53.51 -61.57 2.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.213 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 19.5 m170 -64.29 -31.08 72.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.577 -179.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 11.9 ttpp -62.52 -52.96 61.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.947 0.403 . . . . 0.0 110.479 179.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -64.99 -30.19 71.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.0 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 5.2 tt -74.72 -42.67 57.89 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.747 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.431 HD11 HG21 ' A' ' 119' ' ' ILE . 82.4 mt -79.11 -37.21 19.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 113.275 0.842 . . . . 0.0 113.275 -177.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -71.37 -28.4 64.01 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 -178.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 59.4 p -85.96 21.04 2.05 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 114.478 1.288 . . . . 0.0 114.478 -176.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.437 ' CG2' ' HE3' ' A' ' 96' ' ' LYS . 65.5 t -118.05 -33.03 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.673 178.39 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 8.2 mtp180 -116.68 39.37 3.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.205 0.526 . . . . 0.0 109.662 178.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -149.99 87.11 1.46 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.124 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 3.8 ttt-85 -141.98 127.31 18.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.166 0.508 . . . . 0.0 111.735 -179.161 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -130.41 162.33 29.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.12 179.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.62 94.85 4.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.896 0.379 . . . . 0.0 111.105 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 14.2 mmt-85 63.47 175.4 0.16 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.323 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 49.0 tttm -169.44 -70.36 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.868 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -165.22 127.05 1.57 Allowed Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.329 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 5.4 p . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.308 -0.853 . . . . 0.0 110.811 179.866 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.485 1.275 0 CA-C-O 121.122 0.487 . . . . 0.0 111.637 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 60.8 70.83 0.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.559 -179.743 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -149.29 22.1 0.94 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.04 178.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -89.22 22.23 24.21 Favored Glycine 0 C--N 1.335 0.482 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.619 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -100.72 170.83 8.08 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -111.51 154.76 24.29 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.099 0.476 . . . . 0.0 111.655 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 44.8 t -48.33 143.44 4.72 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.122 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 23.6 p -104.97 33.13 3.77 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.922 0.391 . . . . 0.0 111.399 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 35.6 mt -129.79 149.56 51.47 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.678 178.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 64.2 mtp180 -115.06 114.13 24.96 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.77 0.319 . . . . 0.0 111.072 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 77.3 tt0 -91.47 106.09 18.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.106 179.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 57.98 43.46 21.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.923 -179.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 87.02 -22.84 12.52 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.766 -0.731 . . . . 0.0 113.302 179.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -83.6 130.24 34.98 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 117.259 0.53 . . . . 0.0 111.542 -179.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 77' ' ' GLY . 10.3 tpp180 -74.68 60.42 0.91 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.083 -179.398 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 7.0 t 44.61 -82.94 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 179.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 115.37 -31.97 5.95 Favored Glycine 0 C--N 1.332 0.319 0 C-N-CA 120.616 -0.802 . . . . 0.0 111.829 -178.668 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 62.2 ttt-85 -76.09 144.53 40.65 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 179.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.4 151.27 45.37 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.012 0.434 . . . . 0.0 111.734 -178.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.56 159.13 19.38 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.675 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -125.28 -136.5 4.55 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.178 -1.01 . . . . 0.0 114.068 -178.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -97.93 -15.8 19.99 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -178.154 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -79.99 169.82 17.33 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.854 0.359 . . . . 0.0 111.446 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.1 p -134.33 -166.62 1.83 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.191 179.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -121.31 131.97 54.51 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.837 179.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 47.4 p -136.54 -168.21 2.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.18 0.514 . . . . 0.0 111.611 -179.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.89 -44.4 40.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.245 179.453 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? -52.23 -47.0 65.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.208 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 29.7 mt -66.78 -33.55 64.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.348 179.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -63.08 -42.38 99.61 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-O 121.344 0.593 . . . . 0.0 109.64 178.776 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.16 -33.6 67.85 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.831 179.42 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 19.8 m -63.41 -34.99 78.95 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.687 178.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 71.6 mt -78.21 -45.37 26.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.921 178.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 38.9 t -52.14 -43.35 63.98 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.094 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 30.9 tp60 -69.84 -36.53 75.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.89 0.376 . . . . 0.0 110.154 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.438 ' HE3' ' CG2' ' A' ' 122' ' ' VAL . 41.3 mttp -66.57 -46.22 76.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.233 178.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 6.5 mmtp 67.88 75.73 0.28 Allowed 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.703 -178.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 35.5 m -130.22 166.59 27.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.957 -179.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 20.6 mttp -80.59 68.95 6.99 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.96 0.409 . . . . 0.0 111.422 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 68.4 mt -137.31 109.14 6.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.379 179.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.05 151.72 41.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.853 0.359 . . . . 0.0 110.497 179.473 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.49 127.81 32.69 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.129 0.49 . . . . 0.0 112.258 -179.008 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -64.55 145.41 56.18 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 177.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 22.1 mmtm -98.43 -41.07 7.97 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.853 0.359 . . . . 0.0 111.073 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 76.5 p -54.65 -29.86 53.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.075 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -47.79 152.99 0.66 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.699 -179.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -120.66 24.92 10.04 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.267 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 12.8 p80 -165.98 156.88 13.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.283 -178.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 95.8 mt -116.81 73.1 0.85 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.46 179.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -132.24 109.4 9.89 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.954 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 49.2 pt -92.18 164.19 2.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.911 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 7.3 p -84.02 161.4 20.74 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.474 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.47 -35.55 76.16 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.994 0.426 . . . . 0.0 110.547 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 56.4 t80 -49.81 -62.37 1.6 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.773 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 18.7 m80 -64.49 -28.81 69.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.514 -179.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 7.9 ttpp -61.8 -54.35 43.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.946 0.403 . . . . 0.0 110.444 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -66.4 -42.09 88.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.794 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 4.5 tt -60.94 -41.72 96.81 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.709 -179.089 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.424 ' HA ' ' HE2' ' A' ' 96' ' ' LYS . 78.8 mt -82.0 -52.72 13.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 -178.046 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -57.35 -26.17 60.57 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.252 0.834 . . . . 0.0 113.252 -178.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 4.9 m -110.78 62.3 0.61 Allowed 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 114.824 1.416 . . . . 0.0 114.824 -176.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.438 ' CG2' ' HE3' ' A' ' 96' ' ' LYS . 55.3 t -132.28 -46.6 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 177.279 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 13.4 mtp-105 -130.2 27.66 5.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.63 177.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -153.12 105.32 2.89 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.955 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 18.5 mtm-85 -84.71 -171.37 3.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.002 0.43 . . . . 0.0 111.51 -179.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 11.7 ttt180 -131.54 103.98 6.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.641 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 5.9 tttp 61.67 -143.34 0.44 Allowed 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 -139.63 -45.98 0.45 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.077 0.465 . . . . 0.0 109.771 177.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 2.2 ttpp 55.51 -85.62 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.201 178.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 142.86 -77.54 0.28 Allowed Glycine 0 C--N 1.333 0.401 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.282 -178.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.27 -0.871 . . . . 0.0 111.082 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.0 m . . . . . 0 N--CA 1.486 1.358 0 N-CA-C 111.559 0.207 . . . . 0.0 111.559 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -113.65 44.44 1.6 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.332 0.587 . . . . 0.0 111.08 179.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -148.68 36.33 0.79 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.776 179.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -157.41 54.04 0.39 Allowed Glycine 0 N--CA 1.45 -0.431 0 CA-C-N 115.571 -0.741 . . . . 0.0 112.069 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -62.62 180.0 0.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.917 0.389 . . . . 0.0 110.867 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.2 mp -120.25 149.06 42.89 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.618 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.429 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 53.9 t -54.31 151.63 7.23 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.217 -179.512 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 71.7 m -121.26 30.78 6.63 Favored 'General case' 0 CA--C 1.529 0.156 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -178.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 73.7 mt -114.18 155.38 26.19 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 178.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.426 ' O ' ' HA ' ' A' ' 100' ' ' ILE . 7.2 mtp180 -125.35 140.62 52.65 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.758 0.313 . . . . 0.0 110.848 -179.599 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.406 ' HG2' ' OD1' ' A' ' 72' ' ' ASP . 17.8 tt0 -116.53 110.05 18.06 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.025 179.476 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.406 ' OD1' ' HG2' ' A' ' 71' ' ' GLU . 4.4 m-20 64.11 35.54 10.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.005 0.431 . . . . 0.0 110.282 -179.128 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 83.42 -5.29 78.27 Favored Glycine 0 CA--C 1.52 0.404 0 C-N-CA 120.892 -0.671 . . . . 0.0 112.903 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -104.36 133.89 48.5 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-O 120.957 0.408 . . . . 0.0 111.225 -179.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.48 173.55 0.38 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.082 -179.426 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.429 ' HB3' ' HB3' ' A' ' 67' ' ' CYS . 37.8 t -92.61 -60.9 1.71 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.366 179.073 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 95.14 -35.55 4.21 Favored Glycine 0 C--N 1.331 0.266 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.905 179.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 20.9 ttt180 -58.39 146.15 35.81 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 179.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.1 145.98 54.76 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.909 0.385 . . . . 0.0 111.395 -179.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.25 159.15 4.75 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.227 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -117.23 -146.65 8.38 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.616 -0.802 . . . . 0.0 113.713 -179.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -103.99 0.29 29.76 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -178.58 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -96.6 169.69 9.72 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.949 0.404 . . . . 0.0 111.268 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 82.9 p -130.32 157.92 41.23 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.795 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -83.69 97.48 9.13 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.715 179.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 52.1 p -102.66 -173.13 2.25 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.682 -178.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.1 -38.35 57.05 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.968 178.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -52.42 -45.03 65.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.161 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 25.4 mt -68.08 -39.77 81.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.062 179.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -55.09 -50.85 68.13 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.515 178.581 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.0 tptp -58.99 -50.52 73.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.337 178.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.419 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 43.8 t -48.93 -44.53 40.58 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.242 179.593 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 82.0 mt -65.82 -46.04 89.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.312 179.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 69.6 m -55.04 -38.31 67.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.209 -179.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -69.1 -40.16 78.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.916 0.388 . . . . 0.0 110.053 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.419 ' HG3' ' O ' ' A' ' 92' ' ' SER . 12.2 mtpp -73.54 -28.72 62.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.624 178.412 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 15.8 tptt 53.65 74.86 0.29 Allowed 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.631 -179.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 18.6 m -122.86 175.75 5.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.359 -179.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 55.7 mttm -92.32 55.44 2.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.255 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.426 ' HA ' ' O ' ' A' ' 70' ' ' ARG . 69.3 mt -119.7 118.21 56.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.433 179.161 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -130.77 176.58 8.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.053 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -101.32 125.91 48.01 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.911 -178.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 61.8 t0 -67.76 121.75 16.62 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 178.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.403 ' HB3' ' NZ ' ' A' ' 104' ' ' LYS . 0.3 OUTLIER -80.1 -18.77 49.05 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -178.675 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 75.7 m -68.56 -10.56 56.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.766 -0.197 . . . . 0.0 111.471 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -78.66 -176.16 4.74 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-O 121.015 0.436 . . . . 0.0 112.037 -179.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -130.7 -43.84 1.1 Allowed 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.928 179.754 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 34.1 p80 -91.81 175.85 6.74 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.651 -179.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 6.3 mt -133.23 79.73 1.85 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.942 179.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -145.64 103.9 3.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.274 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 32.0 pt -79.15 169.4 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.985 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 20.0 p -81.93 169.35 16.89 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.484 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.15 -37.46 81.06 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.095 0.474 . . . . 0.0 110.303 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 79.8 t80 -52.2 -61.19 2.43 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.398 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 8.9 m170 -60.33 -41.87 94.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.683 -179.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 6.6 ttpp -52.72 -53.68 44.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.018 0.437 . . . . 0.0 110.734 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -64.45 -36.29 83.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.085 -179.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 5.3 tt -62.34 -48.24 80.7 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.871 -179.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 56.4 mt -80.47 -40.15 19.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -177.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -66.24 -38.83 88.81 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.666 0.987 . . . . 0.0 113.666 -177.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 28.9 p -74.61 7.27 3.11 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 -176.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 58.6 t -115.34 143.97 23.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 O-C-N 121.986 -0.446 . . . . 0.0 110.686 178.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 47.23 25.9 0.61 Allowed 'General case' 0 N--CA 1.454 -0.254 0 CA-C-O 120.984 0.421 . . . . 0.0 111.365 -178.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -157.56 19.93 0.28 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.943 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . 0.408 ' O ' ' N ' ' A' ' 127' ' ' LYS . 42.9 ttt85 -94.51 25.45 3.93 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.825 0.345 . . . . 0.0 111.163 -178.744 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 20.3 ttp180 60.98 -79.13 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.063 179.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 125' ' ' ARG . 22.3 mtpp 57.96 82.89 0.12 Allowed 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.39 -168.83 1.7 Allowed 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 177.667 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 10.6 mmtt -93.9 177.25 6.05 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.268 0.556 . . . . 0.0 111.664 -179.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -117.78 37.77 3.17 Favored Glycine 0 N--CA 1.449 -0.493 0 CA-C-N 115.476 -0.783 . . . . 0.0 111.447 178.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.187 -0.911 . . . . 0.0 110.758 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 67.9 m . . . . . 0 N--CA 1.48 1.043 0 N-CA-C 111.296 0.11 . . . . 0.0 111.296 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.9 m120 -93.76 26.67 3.02 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.119 0.485 . . . . 0.0 109.907 177.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -157.56 19.61 0.28 Allowed 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.243 178.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -139.93 64.62 0.53 Allowed Glycine 0 C--N 1.335 0.525 0 N-CA-C 111.665 -0.574 . . . . 0.0 111.665 -179.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -109.63 -165.43 1.01 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.786 0.327 . . . . 0.0 110.293 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.3 tp -118.35 159.87 22.65 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.046 0.45 . . . . 0.0 111.929 179.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 42.7 t -67.96 140.45 56.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.899 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 91.5 m -108.15 41.07 1.62 Allowed 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -178.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 80.2 mt -130.69 154.62 47.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.866 0.365 . . . . 0.0 110.607 177.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 45.6 mtp85 -119.53 118.28 30.62 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.867 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -90.24 126.46 35.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.823 0.344 . . . . 0.0 110.258 179.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 54.0 27.7 7.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.578 -179.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 89.22 -4.59 84.46 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.776 -0.726 . . . . 0.0 113.099 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -111.41 143.34 42.39 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.039 0.447 . . . . 0.0 111.575 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.6 tpp85 -53.07 161.51 0.81 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.601 -0.727 . . . . 0.0 112.1 -178.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 24.0 t -79.09 -67.99 0.7 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.461 179.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 102.16 -22.25 38.62 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.531 -0.842 . . . . 0.0 112.624 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 55.5 ttt85 -83.38 135.36 34.73 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.89 154.12 12.81 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.071 0.463 . . . . 0.0 111.536 -178.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.45 149.15 44.47 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.713 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -104.38 -114.03 3.9 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.771 -0.728 . . . . 0.0 113.498 -179.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -125.74 -28.48 3.24 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -178.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.98 176.7 0.19 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.133 0.492 . . . . 0.0 111.891 -179.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 60.7 p -144.0 141.53 30.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.937 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -70.11 94.02 0.86 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.856 179.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 92.0 p -97.55 -168.67 1.72 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.789 -178.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.3 mtmp? -78.02 -40.26 39.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.828 179.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.4 -38.58 74.52 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.612 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 40.1 mt -69.58 -34.79 63.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.237 179.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -66.36 -45.14 81.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.759 178.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.86 -45.61 91.78 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.945 178.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.3 m -56.86 -47.69 79.8 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.095 179.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.414 HG22 ' CG2' ' A' ' 98' ' ' VAL . 85.6 mt -60.23 -40.87 84.96 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.862 178.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.35 -45.55 91.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.967 -179.727 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.419 ' OE1' ' HA ' ' A' ' 95' ' ' GLN . 5.9 tp60 -64.3 -37.39 87.31 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.991 0.424 . . . . 0.0 109.935 179.541 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.446 ' HE2' ' CB ' ' A' ' 122' ' ' VAL . 6.1 mtpm? -70.51 -35.82 73.43 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 178.343 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 61.06 81.4 0.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.063 -0.971 . . . . 0.0 109.578 -178.444 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.414 ' CG2' HG22 ' A' ' 93' ' ' ILE . 28.8 m -133.66 174.09 13.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.112 -179.056 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 32.8 mttm -96.47 65.73 2.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.406 -179.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 60.0 mt -133.49 109.18 13.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.26 179.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -127.8 168.49 15.08 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.054 0.454 . . . . 0.0 110.748 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 31.2 tp -83.19 138.08 33.78 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.328 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -79.65 143.56 34.54 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.536 -0.912 . . . . 0.0 108.536 179.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -97.79 -2.64 40.6 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 -178.536 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 56.7 m -87.91 -14.52 39.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.692 0.282 . . . . 0.0 111.105 179.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -68.6 -158.37 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.986 0.422 . . . . 0.0 111.811 -179.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -147.56 -37.38 0.2 Allowed 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.151 -179.534 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 8.0 p80 -114.86 170.65 8.18 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 116.141 -0.482 . . . . 0.0 112.027 -179.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 58.9 mt -116.4 72.2 0.81 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.01 178.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -131.31 96.17 3.95 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.041 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 32.1 pt -79.74 174.66 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.96 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 24.9 p -86.74 175.69 8.12 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.301 179.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -73.18 -34.81 66.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.057 0.456 . . . . 0.0 110.243 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -51.62 -61.07 2.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.432 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 21.5 m170 -65.72 -31.73 72.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.779 -179.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 10.9 ttpp -60.12 -54.25 48.18 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.978 0.418 . . . . 0.0 110.802 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -70.04 -37.88 75.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.599 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 5.6 tt -59.77 -44.17 94.0 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.796 -179.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 71.5 mt -83.07 -41.6 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 113.345 0.869 . . . . 0.0 113.345 -177.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -63.9 -35.23 79.97 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 113.458 0.91 . . . . 0.0 113.458 -178.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 86.2 p -96.53 34.48 1.64 Allowed 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 -175.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.446 ' CB ' ' HE2' ' A' ' 96' ' ' LYS . 64.4 t -125.71 135.57 63.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.335 178.129 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 19.8 mtm-85 46.64 46.23 14.61 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-O 121.166 0.508 . . . . 0.0 111.384 -178.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -146.84 104.6 3.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.216 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 33.9 mtm180 -72.94 -25.64 61.1 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.791 0.329 . . . . 0.0 111.213 -179.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 6.9 ttp85 50.13 -123.06 1.94 Allowed 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 1.2 tttm 75.15 -2.5 2.82 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 118.899 0.772 . . . . 0.0 111.735 179.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.31 160.69 19.05 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 179.069 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.74 -26.54 2.44 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.56 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -178.36 155.77 17.57 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.987 -0.625 . . . . 0.0 111.662 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.2 m . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.139 -0.934 . . . . 0.0 110.508 -179.998 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 121.15 0.5 . . . . 0.0 111.519 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -92.12 25.71 2.77 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.564 179.267 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -137.91 29.73 2.55 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.244 178.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -156.22 67.53 0.29 Allowed Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.859 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -60.41 -174.82 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.898 0.38 . . . . 0.0 111.108 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.59 147.53 43.63 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.25 0.548 . . . . 0.0 111.936 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.405 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 45.1 t -48.51 158.74 0.26 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.331 -0.849 . . . . 0.0 111.37 -179.599 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 84.4 m -132.86 28.37 4.21 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.695 -179.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 54.9 mt -114.07 167.01 11.04 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 178.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 44.2 mtp85 -129.6 137.1 50.52 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.957 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -113.31 104.29 12.17 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.929 179.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 72.37 37.52 0.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.284 -178.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 80.88 0.77 88.98 Favored Glycine 0 N--CA 1.448 -0.53 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.969 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -114.19 152.79 30.67 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.348 0.594 . . . . 0.0 112.117 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.96 169.19 5.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.03 -0.986 . . . . 0.0 111.963 -178.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.405 ' HB3' ' HB3' ' A' ' 67' ' ' CYS . 24.2 t -94.51 -73.61 0.57 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.502 179.506 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.93 -30.64 8.79 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 120.425 -0.893 . . . . 0.0 112.868 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.43 ' NH1' ' HB2' ' A' ' 114' ' ' TYR . 22.3 ttt180 -66.61 134.71 52.88 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 179.567 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.09 156.17 5.77 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.941 0.4 . . . . 0.0 111.58 -178.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.14 155.09 37.38 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.38 -179.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -112.25 -129.34 5.24 Favored Glycine 0 C--N 1.332 0.355 0 C-N-CA 120.707 -0.759 . . . . 0.0 113.744 -179.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 23.8 p30 -106.57 -19.03 13.79 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -178.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -77.33 170.0 17.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.135 0.493 . . . . 0.0 111.856 -179.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -138.21 156.84 47.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.387 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -80.02 87.29 5.42 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.811 -0.441 . . . . 0.0 109.811 179.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 66.9 p -96.28 -169.71 1.96 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.049 -179.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.8 mppp? -78.08 -39.38 41.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.416 178.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.6 tmm_? -53.37 -47.59 69.3 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.798 0.332 . . . . 0.0 110.142 179.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.4 ' O ' HG13 ' A' ' 93' ' ' ILE . 23.4 mt -65.96 -39.86 85.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.033 179.221 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.8 -53.52 57.42 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.022 0.439 . . . . 0.0 110.167 179.396 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.29 -35.73 76.24 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.22 179.589 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.484 ' HA ' ' HG3' ' A' ' 123' ' ' ARG . 36.1 m -60.32 -52.24 66.11 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.795 178.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 89' ' ' ILE . 82.5 mt -57.29 -40.86 76.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.267 179.071 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.8 m -60.53 -33.91 73.34 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.234 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.63 -32.29 63.97 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.337 179.194 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.45 ' HE2' ' CG2' ' A' ' 122' ' ' VAL . 1.6 mtpm? -77.63 -33.06 53.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.835 178.751 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 30.3 mmtt 57.14 71.44 0.58 Allowed 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.248 -178.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 31.6 m -125.31 170.76 14.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.395 -179.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 7.8 mmtp -82.95 56.38 3.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.422 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 42.6 mt -132.16 117.97 34.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.414 179.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -141.89 166.15 25.52 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.726 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.87 131.95 34.2 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.751 -179.501 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -79.7 147.04 32.11 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 177.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -92.3 -14.68 28.46 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -178.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.4 p -71.99 -31.02 65.84 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.748 0.309 . . . . 0.0 111.277 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -49.06 131.78 19.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.155 0.503 . . . . 0.0 111.556 -179.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 18.4 ttp180 -75.11 -17.41 60.44 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.043 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 26.2 p80 -146.14 -177.33 5.55 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.977 0.418 . . . . 0.0 111.154 -179.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 94.0 mt -103.74 -127.36 0.23 Allowed 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 178.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 57.25 115.12 0.01 OUTLIER 'General case' 0 C--N 1.339 0.14 0 CA-C-O 121.278 0.561 . . . . 0.0 111.702 179.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 33.7 pt -102.02 164.75 3.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.475 179.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 13.7 p -71.89 159.23 34.63 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.629 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.61 -29.64 69.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.076 0.465 . . . . 0.0 110.246 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.43 ' HB2' ' NH1' ' A' ' 78' ' ' ARG . 33.1 t80 -58.47 -62.14 2.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.498 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 10.8 m80 -61.12 -39.17 89.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.591 -179.102 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 6.3 ttpp -54.42 -53.42 54.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.046 0.45 . . . . 0.0 110.627 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -65.89 -33.78 76.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.163 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 5.5 tt -67.18 -39.8 86.49 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.615 -179.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 73.4 mt -85.24 -42.94 16.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -178.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -60.52 -34.83 74.69 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -178.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 21.5 t -77.4 48.96 0.68 Allowed 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 114.395 1.257 . . . . 0.0 114.395 -176.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.45 ' CG2' ' HE2' ' A' ' 96' ' ' LYS . 72.3 t -153.23 -44.43 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.957 0.408 . . . . 0.0 109.98 178.067 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.484 ' HG3' ' HA ' ' A' ' 92' ' ' SER . 9.1 mmm-85 -98.15 36.9 1.5 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.486 178.387 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -158.08 24.95 0.26 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.604 -179.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -80.69 -161.47 0.39 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.558 -179.073 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 38.3 ttt180 65.86 85.48 0.14 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.744 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -149.68 -177.1 5.69 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.804 -179.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 5.1 ptp85 -93.68 163.46 13.53 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 177.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.432 ' HG2' ' N ' ' A' ' 130' ' ' GLY . 0.0 OUTLIER -96.85 -28.85 14.05 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.031 0.443 . . . . 0.0 110.609 -179.633 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . 0.432 ' N ' ' HG2' ' A' ' 129' ' ' LYS . . . 131.88 70.25 0.09 OUTLIER Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.285 -179.667 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 4.3 m . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.688 179.618 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.416 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 2.5 p . . . . . 0 N--CA 1.484 1.261 0 N-CA-C 110.452 -0.203 . . . . 0.0 110.452 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.416 ' ND2' ' O ' ' A' ' 61' ' ' SER . 1.7 m-80 -161.47 79.16 0.57 Allowed 'General case' 0 CA--C 1.521 -0.17 0 CA-C-O 121.288 0.566 . . . . 0.0 110.741 179.305 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -141.29 28.63 1.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.695 179.116 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -138.74 44.46 1.1 Allowed Glycine 0 N--CA 1.45 -0.411 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.754 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -92.43 -172.01 2.95 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.771 0.32 . . . . 0.0 110.414 -179.59 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.416 ' HA ' ' HA ' ' A' ' 79' ' ' ALA . 3.9 mp -111.12 140.88 45.3 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.273 0.558 . . . . 0.0 111.859 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.421 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 35.2 t -39.94 158.08 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.115 -0.948 . . . . 0.0 111.631 -179.674 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 29.6 p -125.0 39.4 3.99 Favored 'General case' 0 CA--C 1.529 0.144 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 -179.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 54.2 mt -130.44 139.73 50.57 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 178.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 43.9 mtp180 -110.85 126.39 54.61 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.894 0.378 . . . . 0.0 111.092 -179.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -102.62 108.5 19.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.806 178.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 64.88 35.63 8.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.399 -179.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 81.64 -6.13 66.58 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 121.007 -0.616 . . . . 0.0 113.087 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -101.48 131.76 47.45 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.058 0.456 . . . . 0.0 111.257 -179.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.9 tpp85 -65.18 140.92 58.81 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.996 -178.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.421 ' HB3' ' HB3' ' A' ' 67' ' ' CYS . 7.7 t -56.62 -62.58 1.63 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.644 179.625 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 99.4 -48.01 1.3 Allowed Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.674 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 35.5 ttt-85 -53.84 136.04 41.01 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.416 ' HA ' ' HA ' ' A' ' 66' ' ' LEU . . . -54.62 151.38 8.14 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.815 0.34 . . . . 0.0 111.525 -178.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.51 169.11 1.86 Allowed 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.481 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.408 ' N ' ' HA ' ' A' ' 112' ' ' CYS . . . -127.11 -155.44 8.84 Favored Glycine 0 C--N 1.335 0.478 0 C-N-CA 120.596 -0.811 . . . . 0.0 113.595 -179.249 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -94.59 27.25 3.09 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 112.13 0.419 . . . . 0.0 112.13 -178.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -126.83 148.05 49.99 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.888 0.375 . . . . 0.0 111.625 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 43.4 p -115.89 142.89 46.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.595 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -66.32 121.71 15.85 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.674 178.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 80.2 p -127.37 -166.17 1.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.872 0.367 . . . . 0.0 111.35 -178.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 20.6 mttp -77.22 -41.4 41.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.396 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.416 ' HD2' ' N ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -52.66 -55.99 18.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.111 179.35 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.431 HG23 ' CG2' ' A' ' 119' ' ' ILE . 60.1 mt -53.74 -43.73 56.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.081 179.401 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 8.4 tm0? -56.51 -48.43 77.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.931 178.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.412 ' HE3' ' NH1' ' A' ' 123' ' ' ARG . 0.0 OUTLIER -59.35 -46.48 88.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.651 179.324 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.41 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 7.1 t -52.35 -50.72 61.8 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.813 178.707 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.4 HG22 ' CG2' ' A' ' 98' ' ' VAL . 72.6 mt -57.01 -41.02 76.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.234 178.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 16.3 t -62.16 -41.8 98.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.21 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -71.67 -41.65 68.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.901 0.381 . . . . 0.0 110.155 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.439 ' CE ' HG23 ' A' ' 122' ' ' VAL . 5.2 mtpm? -66.06 -41.22 91.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.032 178.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 12.9 mttm 70.46 74.91 0.21 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.386 -0.824 . . . . 0.0 109.629 -178.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.4 ' CG2' HG22 ' A' ' 93' ' ' ILE . 18.2 m -132.38 166.2 29.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.303 -179.191 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 15.6 mmtm -86.45 55.38 3.53 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.489 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 50.3 mt -118.63 104.46 16.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.907 0.384 . . . . 0.0 110.404 179.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -127.82 154.82 44.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.456 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.61 139.16 40.52 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.901 -179.236 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -82.03 144.06 31.11 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 178.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.52 -22.2 20.5 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -178.755 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.5 p -60.8 -38.63 86.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.845 0.355 . . . . 0.0 111.124 -179.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -59.22 -170.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.682 -179.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -141.61 -50.06 0.4 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.347 -179.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . 0.404 ' HB2' ' CE2' ' A' ' 110' ' ' TYR . 18.3 p80 -80.95 174.24 11.82 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.272 -179.07 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 29.9 mt -129.47 82.33 2.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.238 178.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.404 ' CE2' ' HB2' ' A' ' 108' ' ' HIS . 86.5 m-85 -141.03 113.5 8.11 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.761 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 43.7 pt -97.98 154.06 3.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.112 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . 0.408 ' HA ' ' N ' ' A' ' 81' ' ' GLY . 7.0 p -67.95 161.88 25.55 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.623 179.533 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.35 -38.12 85.8 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.08 0.467 . . . . 0.0 110.332 179.703 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -48.84 -59.43 3.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.451 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -64.16 -33.59 76.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.843 -179.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 16.2 ttpp -59.14 -53.0 63.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.061 0.458 . . . . 0.0 110.491 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -67.31 -37.46 83.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.092 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 4.6 tt -64.4 -44.11 92.32 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.655 -179.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.431 ' CG2' HG23 ' A' ' 89' ' ' ILE . 60.0 mt -81.47 -45.04 20.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 -178.321 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -62.35 -32.77 73.6 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -178.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.422 ' O ' ' CG2' ' A' ' 122' ' ' VAL . 74.2 m -105.53 80.29 1.55 Allowed 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 -176.696 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.439 HG23 ' CE ' ' A' ' 96' ' ' LYS . 64.5 t -157.13 -36.33 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.632 178.223 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.412 ' NH1' ' HE3' ' A' ' 91' ' ' LYS . 7.0 mtm180 -88.52 41.33 1.01 Allowed 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 120.913 0.387 . . . . 0.0 110.122 177.787 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -134.0 96.32 3.62 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 14.8 ttp180 -124.46 111.41 15.69 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.231 0.539 . . . . 0.0 111.374 -178.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 12.1 ttt85 -171.71 156.57 4.35 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.506 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.94 139.43 52.59 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.109 0.48 . . . . 0.0 111.644 -179.084 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.7 150.79 26.51 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.164 178.567 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.24 -79.39 0.52 Allowed 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.982 -179.733 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -179.17 -128.95 1.24 Allowed Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.837 -0.697 . . . . 0.0 111.962 -179.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 14.6 m . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.747 179.823 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.8 p . . . . . 0 N--CA 1.484 1.274 0 CA-C-O 121.222 0.534 . . . . 0.0 111.413 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -100.04 82.34 2.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.653 179.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 56.89 35.63 26.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.619 179.273 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -126.82 39.09 2.03 Favored Glycine 0 CA--C 1.517 0.196 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.351 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 58.3 mm-40 -63.32 171.15 2.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.972 0.415 . . . . 0.0 111.543 -179.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 57.1 mt -107.89 149.32 28.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.809 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 35.1 t -45.39 144.66 1.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.074 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.8 p -111.94 35.05 3.87 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -179.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 86.5 mt -119.36 160.95 21.3 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 178.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 42.6 mtp180 -129.83 122.83 29.5 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.239 -179.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -105.14 100.34 9.93 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 178.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 60.14 39.43 19.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.502 -179.205 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 89.14 -3.79 84.43 Favored Glycine 0 CA--C 1.519 0.315 0 C-N-CA 120.879 -0.677 . . . . 0.0 113.173 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -96.03 111.45 23.46 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 117.107 0.453 . . . . 0.0 110.971 -179.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.401 ' O ' ' N ' ' A' ' 77' ' ' GLY . 14.1 tpp85 -70.8 61.84 0.26 Allowed 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.795 -179.006 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 4.3 t 32.43 -88.88 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 179.211 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 117.57 -29.48 6.63 Favored Glycine 0 C--N 1.336 0.548 0 C-N-CA 120.419 -0.896 . . . . 0.0 113.029 -179.347 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 48.9 ttt-85 -68.86 147.47 51.66 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.755 0.312 . . . . 0.0 110.623 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.88 154.02 12.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.716 -179.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.68 150.19 36.36 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.254 179.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -106.03 -140.58 10.06 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.48 -0.867 . . . . 0.0 113.973 -178.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -112.23 24.59 12.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.521 -0.339 . . . . 0.0 111.534 -178.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.409 ' HB1' ' HD3' ' A' ' 116' ' ' LYS . . . -115.32 167.67 10.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.999 0.428 . . . . 0.0 111.554 -179.647 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 55.7 p -129.84 153.8 47.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.693 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -85.53 113.71 21.99 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.876 179.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 78.6 p -116.95 -169.36 1.63 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.157 0.503 . . . . 0.0 111.262 -179.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.64 -37.87 55.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.3 178.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? -52.79 -42.74 65.33 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.889 -0.412 . . . . 0.0 109.889 178.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.405 ' O ' HG13 ' A' ' 93' ' ' ILE . 63.2 mt -66.25 -41.27 88.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.712 178.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -56.95 -52.04 66.78 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-O 121.621 0.724 . . . . 0.0 109.299 178.467 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.8 mmtp -54.38 -48.19 71.81 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 114.627 -1.17 . . . . 0.0 109.728 178.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.411 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 27.8 t -56.84 -39.8 74.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.248 178.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 89' ' ' ILE . 89.9 mt -65.44 -45.36 93.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.292 179.271 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 13.6 t -57.54 -36.85 72.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.35 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.425 ' HG2' ' NH1' ' A' ' 123' ' ' ARG . 11.1 tp60 -72.23 -50.65 25.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.852 0.358 . . . . 0.0 110.42 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.421 ' NZ ' ' HB ' ' A' ' 122' ' ' VAL . 16.3 mttm -59.94 -42.65 94.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.053 0.454 . . . . 0.0 110.578 179.189 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.418 ' HB2' ' O ' ' A' ' 96' ' ' LYS . 3.2 mtmt 68.9 76.87 0.23 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.616 -178.051 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 32.8 m -131.83 175.69 10.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.966 -179.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.95 64.38 2.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.884 0.373 . . . . 0.0 111.354 -179.571 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 45.1 mt -133.44 104.77 6.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.273 179.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -130.06 152.06 49.93 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.056 0.455 . . . . 0.0 110.972 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 17.4 tp -71.97 145.5 48.35 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.61 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -92.53 113.19 25.4 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 177.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 3.0 mmmm -75.34 -5.22 43.63 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -178.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 58.3 m -77.77 -19.36 55.21 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.625 0.25 . . . . 0.0 111.223 179.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -79.34 -157.38 0.13 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.699 -179.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.4 ptp85 -146.49 -49.3 0.2 Allowed 'General case' 0 N--CA 1.456 -0.136 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.161 -179.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 15.0 p80 -80.39 152.03 29.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.506 -179.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 79.4 mt -116.03 84.06 2.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.104 178.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -143.58 108.24 4.87 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.356 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 34.2 pt -91.68 160.86 2.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.991 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 9.4 p -76.69 155.31 33.44 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.583 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -56.4 -31.8 64.22 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.124 0.488 . . . . 0.0 110.156 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 79.8 t80 -53.87 -60.64 3.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.244 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 16.4 m170 -65.32 -32.53 74.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.763 -179.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.409 ' HD3' ' HB1' ' A' ' 83' ' ' ALA . 16.4 ttpp -60.08 -52.97 63.07 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.982 0.42 . . . . 0.0 110.589 179.686 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -66.99 -41.06 87.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.895 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 6.0 tt -59.57 -42.16 91.81 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.024 -179.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.415 ' HA ' ' HE3' ' A' ' 96' ' ' LYS . 54.1 mt -87.3 -43.99 15.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 -177.708 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -64.71 -47.25 79.03 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 -178.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.6 t -85.08 41.66 0.89 Allowed 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 114.684 1.364 . . . . 0.0 114.684 -174.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.421 ' HB ' ' NZ ' ' A' ' 96' ' ' LYS . 90.4 t -118.67 -26.35 2.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.876 0.37 . . . . 0.0 110.551 177.567 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.425 ' NH1' ' HG2' ' A' ' 95' ' ' GLN . 14.6 mtm180 -127.55 32.78 4.94 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.267 0.556 . . . . 0.0 110.252 178.345 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -56.24 90.02 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.673 179.358 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -138.11 82.21 1.9 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.415 -179.101 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -124.3 -73.95 0.63 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.724 179.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 43.5 -172.16 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.225 0.536 . . . . 0.0 111.991 178.766 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 5.9 ptp180 -104.65 159.06 16.07 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 177.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.401 ' HD3' ' N ' ' A' ' 130' ' ' GLY . 0.0 OUTLIER -87.62 -109.23 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.687 -0.405 . . . . 0.0 111.525 -179.08 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . 0.401 ' N ' ' HD3' ' A' ' 129' ' ' LYS . . . 121.11 -161.85 15.02 Favored Glycine 0 C--N 1.335 0.483 0 C-N-CA 120.335 -0.936 . . . . 0.0 112.039 -179.212 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 11.2 t . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.982 -179.93 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.3 p . . . . . 0 N--CA 1.481 1.083 0 CA-C-O 121.539 0.685 . . . . 0.0 111.422 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -83.41 131.13 35.06 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.993 -1.003 . . . . 0.0 111.24 -179.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 53.72 70.39 0.6 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.814 179.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -121.1 54.47 0.67 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.824 -0.703 . . . . 0.0 111.919 179.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 44.2 mm-40 -104.32 -171.14 1.87 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.08 0.467 . . . . 0.0 111.421 -179.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 26.2 mt -123.45 156.94 34.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.496 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 44.8 t -48.38 156.88 0.38 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.84 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 17.3 p -120.08 24.5 10.43 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.846 0.355 . . . . 0.0 111.62 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 63.8 mt -117.31 148.77 41.4 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 178.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.418 ' HG2' ' HD3' ' A' ' 75' ' ' ARG . 68.2 mtp180 -111.29 133.81 53.35 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.795 0.331 . . . . 0.0 111.389 -179.502 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -115.49 111.31 20.56 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.981 179.14 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 56.18 30.42 16.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.689 -179.235 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 96.85 -16.64 60.64 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.859 -0.686 . . . . 0.0 113.307 179.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -86.54 137.09 32.79 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.119 0.485 . . . . 0.0 111.722 -179.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.503 ' O ' ' N ' ' A' ' 77' ' ' GLY . 6.3 tpp85 -80.78 59.24 3.6 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.562 -178.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 7.5 t 45.15 -78.79 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 179.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 103.78 -15.31 52.55 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.308 -179.361 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 10.2 ttt180 -87.69 141.48 28.57 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.871 0.367 . . . . 0.0 110.576 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.53 158.49 1.78 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.69 -179.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -83.41 154.11 24.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.893 178.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -109.94 -106.6 3.0 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.176 -1.012 . . . . 0.0 113.891 -178.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -135.21 -37.74 0.78 Allowed 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -178.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.71 165.45 0.6 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.131 0.491 . . . . 0.0 111.875 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 96.2 p -136.2 137.3 40.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.739 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -59.8 137.71 57.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.924 179.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 88.4 p -144.64 -163.58 1.73 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.05 -179.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.3 mmtm -78.71 -36.7 43.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.497 179.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.47 -41.05 93.38 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.706 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 9.7 mt -69.3 -37.2 75.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 178.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.34 -44.99 95.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.796 178.776 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.72 -40.14 91.91 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.256 179.512 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.442 ' HA ' ' NE ' ' A' ' 123' ' ' ARG . 1.7 m -61.05 -44.48 97.32 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.068 178.753 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 95.6 mt -64.23 -46.17 94.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.09 179.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.0 -47.16 68.49 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.165 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 63.2 tp60 -66.98 -30.62 70.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.038 0.447 . . . . 0.0 110.182 179.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.415 ' HE2' ' HA ' ' A' ' 119' ' ' ILE . 42.4 mttp -72.57 -51.07 21.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.404 179.009 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 2.5 tptm 73.42 61.23 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.316 -178.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 27.4 m -117.58 167.91 10.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.411 -179.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 6.9 mmtp -82.09 52.94 2.09 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.236 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 54.7 mt -134.73 105.34 6.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.454 179.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -136.98 151.24 48.77 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.891 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.5 tp -64.74 140.1 58.83 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.667 -179.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.405 ' HB2' ' HD2' ' A' ' 70' ' ' ARG . 43.9 t0 -101.71 147.36 26.54 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 177.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.402 ' HA ' ' HE3' ' A' ' 104' ' ' LYS . 0.1 OUTLIER -90.4 -13.56 34.72 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -178.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.4 p -64.75 -21.66 66.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.802 0.334 . . . . 0.0 110.967 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -75.41 -172.22 1.71 Allowed 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 121.091 0.472 . . . . 0.0 111.898 -179.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.87 -56.76 0.73 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.105 -179.671 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 28.8 p80 -80.45 151.94 29.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.935 -178.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 83.8 mt -108.13 76.42 1.04 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.684 178.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -140.35 124.43 17.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.044 -179.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 30.0 pt -103.56 166.46 2.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.009 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 9.7 p -84.23 165.19 18.57 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.419 179.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -63.4 -33.23 75.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.007 0.432 . . . . 0.0 110.395 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -55.56 -61.21 2.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.242 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 21.9 m170 -66.68 -36.61 82.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.61 -179.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 10.2 ttpp -56.28 -52.53 64.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.93 0.395 . . . . 0.0 110.31 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -65.19 -44.92 86.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.073 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 5.2 tt -55.21 -49.64 71.42 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.832 -179.175 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.415 ' HA ' ' HE2' ' A' ' 96' ' ' LYS . 60.0 mt -78.05 -42.93 28.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 113.404 0.89 . . . . 0.0 113.404 -177.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -62.86 -30.77 71.76 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 -178.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -106.29 53.54 0.7 Allowed 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 -176.626 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 88.2 t -134.53 -41.12 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.864 0.364 . . . . 0.0 110.119 177.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.442 ' NE ' ' HA ' ' A' ' 92' ' ' SER . 1.2 mtm105 -109.77 79.37 1.21 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.358 0.599 . . . . 0.0 109.663 178.371 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 19.4 p30 -119.38 16.5 13.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.433 -179.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 54.1 mtp180 -120.41 99.79 6.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.886 0.374 . . . . 0.0 111.512 -179.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 20.9 ttt180 -78.87 -58.96 2.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.659 178.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.417 ' O ' ' HB3' ' A' ' 128' ' ' ARG . 1.5 mtpp 55.1 85.9 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.586 -0.734 . . . . 0.0 112.965 178.734 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . 0.417 ' HB3' ' O ' ' A' ' 127' ' ' LYS . 2.5 ptt180 174.0 -169.88 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.843 178.327 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 3.4 mtpp -162.74 -89.66 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 135.52 -174.22 21.38 Favored Glycine 0 N--CA 1.449 -0.433 0 N-CA-C 111.448 -0.661 . . . . 0.0 111.448 -178.014 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 60.4 p . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.232 -0.89 . . . . 0.0 111.009 -179.866 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 45.0 t . . . . . 0 N--CA 1.481 1.075 0 CA-C-O 121.571 0.7 . . . . 0.0 112.006 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -126.62 142.51 51.52 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.99 -1.004 . . . . 0.0 109.016 178.452 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 59.28 30.74 20.53 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.994 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -81.55 49.55 4.06 Favored Glycine 0 C--N 1.33 0.238 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.392 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -123.75 171.12 9.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.925 0.393 . . . . 0.0 110.41 -179.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 62.6 mt -109.21 169.63 8.56 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.304 179.385 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.408 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 39.4 t -62.75 141.78 58.44 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.411 179.742 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 26.9 p -105.11 34.38 3.24 Favored 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -179.104 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 51.0 mt -114.73 164.02 14.65 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 178.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 25.8 mtp-105 -131.45 102.81 6.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.709 0.29 . . . . 0.0 111.056 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -92.02 102.46 15.01 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.025 179.092 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 66.55 39.46 3.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.701 -179.133 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 82.83 -13.98 39.94 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.848 -0.691 . . . . 0.0 113.14 179.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -85.35 129.83 34.72 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.023 0.44 . . . . 0.0 110.883 -179.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.496 ' O ' ' N ' ' A' ' 77' ' ' GLY . 7.5 tpp85 -82.48 63.28 6.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.371 -178.473 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.408 ' HB3' ' HB3' ' A' ' 67' ' ' CYS . 7.6 t 32.4 -83.83 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 178.609 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 104.79 -17.64 45.2 Favored Glycine 0 C--N 1.336 0.556 0 C-N-CA 120.591 -0.814 . . . . 0.0 113.014 179.644 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 32.4 ttm180 -80.5 157.72 26.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.883 0.373 . . . . 0.0 110.663 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.78 142.77 57.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.959 -179.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.71 154.63 41.22 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.08 179.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -114.17 -141.88 7.87 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.366 -0.921 . . . . 0.0 113.909 -178.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -93.97 -33.11 13.58 Favored 'General case' 0 C--N 1.333 -0.113 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -178.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.81 152.06 45.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.063 0.459 . . . . 0.0 111.86 -179.137 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 24.6 p -114.55 -179.19 3.56 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.143 179.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.467 ' CD2' HD13 ' A' ' 102' ' ' LEU . 85.2 t80 -108.11 92.13 3.94 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 178.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 86.5 p -92.6 -170.14 2.39 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.76 -178.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.47 -40.9 41.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.828 179.594 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.452 ' HD2' ' N ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -52.91 -46.79 68.21 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.792 179.697 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.452 ' N ' ' HD2' ' A' ' 88' ' ' ARG . 58.6 mt -62.31 -40.56 88.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.807 0.337 . . . . 0.0 110.104 179.633 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 11.5 tm0? -59.57 -51.4 69.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.811 179.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.39 -38.9 74.99 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.62 179.163 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.423 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 52.3 m -64.89 -36.42 84.29 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.891 179.047 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 96.7 mt -74.71 -29.17 22.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.018 178.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 47.5 t -68.75 -56.39 8.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.086 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -52.11 -24.04 6.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.888 0.375 . . . . 0.0 110.297 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' A' ' 92' ' ' SER . 33.1 mttm -89.67 -47.82 7.68 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-O 121.301 0.572 . . . . 0.0 110.044 178.541 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 70.1 81.43 0.17 Allowed 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.367 -178.587 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 28.0 m -130.04 169.01 21.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.229 -179.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 8.9 mttp -80.68 61.51 4.39 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.928 0.394 . . . . 0.0 111.297 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 74.4 mt -142.92 104.9 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.363 179.261 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -132.07 165.99 22.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.267 179.621 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.467 HD13 ' CD2' ' A' ' 85' ' ' PHE . 0.6 OUTLIER -82.55 120.85 26.04 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.002 0.43 . . . . 0.0 111.766 -179.71 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -61.17 112.59 2.18 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 178.281 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 14.6 mmtp -66.56 -24.38 66.35 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -179.099 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 10.4 p -58.97 -34.43 71.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.796 0.331 . . . . 0.0 111.034 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -70.92 -173.67 0.83 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.139 0.495 . . . . 0.0 112.049 -179.069 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.7 mtp180 -132.68 -59.99 0.89 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.702 -179.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -60.72 158.04 13.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.934 -178.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 71.5 mt -120.9 84.6 2.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.761 178.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -148.64 117.83 6.84 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.245 -179.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 34.2 pt -103.57 157.98 5.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 23.5 p -74.14 161.87 29.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.525 179.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.39 -33.63 75.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.022 0.439 . . . . 0.0 110.285 179.531 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -51.85 -60.95 2.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.157 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 12.1 m80 -63.19 -42.98 99.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.728 -179.175 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 7.5 ttpp -53.03 -48.93 67.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.097 0.475 . . . . 0.0 110.496 179.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -68.98 -37.89 79.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.157 -179.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.414 ' O ' HG23 ' A' ' 122' ' ' VAL . 5.2 tt -64.16 -41.07 97.3 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.684 -179.25 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 59.8 mt -84.3 -34.42 9.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 113.312 0.856 . . . . 0.0 113.312 -177.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -73.19 -34.45 65.98 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 113.328 0.862 . . . . 0.0 113.328 -178.263 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 16.4 m -93.96 15.58 16.5 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 115.065 1.506 . . . . 0.0 115.065 -176.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 118' ' ' LEU . 43.2 t -82.18 -43.92 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 C-N-CA 120.14 -0.624 . . . . 0.0 109.596 178.163 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 10.6 mtp85 -82.2 73.26 9.24 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.067 177.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 35.5 p30 -124.34 55.83 1.29 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.41 179.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 5.2 mtt180 -158.98 -40.56 0.06 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.884 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 15.9 ttp180 -71.02 -48.27 54.0 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.246 0.546 . . . . 0.0 109.653 178.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 15.2 ttpp 52.42 97.65 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.329 -0.851 . . . . 0.0 112.58 178.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -138.51 151.32 47.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.18 178.331 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 6.2 tttp -146.65 10.8 1.08 Allowed 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 147.43 -116.28 0.83 Allowed Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.844 -0.693 . . . . 0.0 111.682 -179.18 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 17.7 p . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.257 -0.878 . . . . 0.0 111.006 179.762 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.485 1.285 0 CA-C-O 121.213 0.53 . . . . 0.0 111.294 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -131.99 115.8 16.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.454 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 62.9 85.77 0.13 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.215 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -85.38 48.16 3.96 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.289 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 34.0 mm-40 -85.83 -171.82 3.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.855 0.36 . . . . 0.0 110.915 -179.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 70.5 mt -111.87 138.38 48.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.501 179.02 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.419 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 17.5 t -44.66 138.59 3.3 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.978 179.785 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 24.6 p -102.93 37.21 2.0 Favored 'General case' 0 N--CA 1.462 0.173 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -179.029 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 67.6 mt -118.03 149.07 41.58 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 178.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.423 ' HA ' ' O ' ' A' ' 74' ' ' GLU . 19.9 mtm180 -121.66 111.42 17.17 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.562 -179.432 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -96.54 108.27 20.82 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 178.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 61.08 24.14 14.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.784 -179.03 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 100.13 0.19 56.01 Favored Glycine 0 C--N 1.333 0.38 0 C-N-CA 120.884 -0.674 . . . . 0.0 113.428 179.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.423 ' O ' ' HA ' ' A' ' 70' ' ' ARG . 0.1 OUTLIER -98.9 121.0 40.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 117.164 0.482 . . . . 0.0 111.118 -179.555 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.572 ' O ' ' N ' ' A' ' 77' ' ' GLY . 0.0 OUTLIER -74.53 55.02 0.62 Allowed 'General case' 0 C--O 1.222 -0.345 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.549 -179.004 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.419 ' HB3' ' HB3' ' A' ' 67' ' ' CYS . 4.5 t 44.45 -69.67 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 -179.727 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.572 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 98.54 -33.83 5.75 Favored Glycine 0 N--CA 1.449 -0.475 0 N-CA-C 110.484 -1.046 . . . . 0.0 110.484 -178.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.419 ' HD3' ' HB2' ' A' ' 112' ' ' CYS . 13.3 ttt85 -62.82 144.15 56.85 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 114.942 -0.629 . . . . 0.0 110.142 179.227 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.17 156.37 34.28 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.45 -179.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.33 152.05 42.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.948 179.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -108.06 -125.44 5.27 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.365 -0.921 . . . . 0.0 113.964 -178.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -111.74 -29.33 7.74 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -178.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -73.6 168.15 19.9 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.153 0.501 . . . . 0.0 112.08 -178.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -126.72 171.38 11.23 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.194 179.645 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -92.88 107.69 19.42 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 178.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 88.2 p -112.63 -167.67 1.22 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.198 0.523 . . . . 0.0 111.875 -178.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.54 -44.34 24.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.099 -179.793 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? -51.76 -43.61 63.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.283 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 15.8 mt -65.07 -39.96 87.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.2 179.244 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -60.02 -52.28 66.06 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.024 0.44 . . . . 0.0 110.076 179.287 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -54.32 -44.53 72.12 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.546 179.432 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 15.2 t -54.76 -52.11 63.6 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.874 178.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 81.0 mt -55.77 -41.02 64.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.244 179.157 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 67.9 m -64.18 -36.25 83.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.213 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -73.66 -33.49 64.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.901 0.381 . . . . 0.0 110.075 179.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.429 ' HE3' HG23 ' A' ' 122' ' ' VAL . 27.6 mttp -78.28 -38.43 42.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.608 178.459 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 63.58 83.44 0.16 Allowed 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.208 -0.906 . . . . 0.0 109.686 -178.6 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 28.6 m -136.04 166.11 27.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.154 -179.238 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.06 56.88 2.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.299 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 51.6 mt -129.13 121.54 54.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.476 179.238 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -146.11 152.33 39.13 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.684 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.38 137.98 57.26 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.136 0.493 . . . . 0.0 111.599 -179.681 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -75.92 122.57 24.35 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 177.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.8 mmpt? -85.57 -1.9 57.59 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -179.225 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 81.1 p -98.71 21.46 11.35 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.79 0.329 . . . . 0.0 110.751 179.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -109.17 -172.41 2.04 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 121.176 0.512 . . . . 0.0 111.765 -179.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.45 -31.08 1.24 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.772 179.64 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 20.8 p80 -96.33 168.84 10.32 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.173 0.511 . . . . 0.0 111.961 -179.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 77.6 mt -134.79 72.93 1.46 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.71 178.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -142.88 116.75 9.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.172 -179.355 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 28.8 pt -93.17 173.72 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . 0.419 ' HB2' ' HD3' ' A' ' 78' ' ' ARG . 9.0 p -90.72 163.99 14.29 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.568 179.756 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -59.73 -34.29 72.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.96 0.409 . . . . 0.0 110.796 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -55.47 -62.83 1.42 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.669 -179.536 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 9.2 m80 -61.62 -32.72 72.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.399 -179.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.41 ' O ' ' HB2' ' A' ' 120' ' ' GLN . 10.6 ttpp -61.24 -54.13 48.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.908 0.385 . . . . 0.0 110.462 179.707 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . 0.423 ' O ' ' HB2' ' A' ' 121' ' ' SER . 28.4 t30 -67.06 -26.22 66.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.032 -179.597 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 3.9 tt -73.76 -41.08 62.97 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.424 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.417 ' HA ' ' HE2' ' A' ' 96' ' ' LYS . 46.5 mt -87.31 -36.92 10.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 -178.008 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.41 ' HB2' ' O ' ' A' ' 116' ' ' LYS . 5.0 mm100 -75.11 -39.81 60.37 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 -178.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.423 ' HB2' ' O ' ' A' ' 117' ' ' ASN . 37.6 m -94.3 38.61 1.09 Allowed 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 115.423 1.638 . . . . 0.0 115.423 -175.457 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.429 HG23 ' HE3' ' A' ' 96' ' ' LYS . 22.0 t -109.19 -28.41 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 177.107 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 19.3 mtm180 -100.7 54.62 0.87 Allowed 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 178.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 15.8 p30 -86.02 39.49 0.81 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.836 -179.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.34 -48.49 27.83 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.185 0.517 . . . . 0.0 110.499 179.731 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.403 ' O ' ' HB2' ' A' ' 127' ' ' LYS . 44.5 mtm180 -144.65 -42.86 0.24 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.256 179.679 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.403 ' HB2' ' O ' ' A' ' 126' ' ' ARG . 0.9 OUTLIER 73.99 -7.64 1.58 Allowed 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.79 -0.641 . . . . 0.0 112.401 179.291 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -101.58 164.37 11.79 Favored 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 178.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.49 -24.08 3.97 Favored 'General case' 0 C--N 1.318 -0.787 0 C-N-CA 120.901 -0.32 . . . . 0.0 111.618 179.758 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 158.54 -78.97 0.18 Allowed Glycine 0 N--CA 1.447 -0.582 0 N-CA-C 111.511 -0.636 . . . . 0.0 111.511 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 28.3 m . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.44 179.367 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.7 m . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 121.347 0.594 . . . . 0.0 111.466 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 17.7 m120 65.32 23.86 12.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.205 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -127.06 128.66 46.64 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 178.212 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.33 46.6 7.39 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.109 -1.043 . . . . 0.0 110.752 -178.109 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -67.75 176.93 2.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.161 0.505 . . . . 0.0 111.675 -179.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.3 139.1 46.97 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.419 179.765 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 49.3 t -45.72 140.99 3.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.283 -0.871 . . . . 0.0 111.498 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 22.4 p -105.84 22.97 14.69 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.604 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 45.0 mt -108.48 146.34 33.33 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 178.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.421 ' HG2' ' HD3' ' A' ' 75' ' ' ARG . 37.1 mtp180 -114.32 131.55 56.49 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.302 -179.282 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -115.55 103.75 11.04 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.663 178.73 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 65.23 17.15 10.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.917 -178.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 112.57 -21.91 18.18 Favored Glycine 0 C--N 1.334 0.463 0 C-N-CA 120.695 -0.764 . . . . 0.0 113.316 179.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -80.34 134.64 36.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.805 0.302 . . . . 0.0 111.58 -179.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.526 ' O ' ' N ' ' A' ' 77' ' ' GLY . 0.0 OUTLIER -80.54 56.27 2.55 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.003 -179.417 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 4.4 t 49.32 -71.58 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 179.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 103.77 -36.88 4.05 Favored Glycine 0 N--CA 1.45 -0.405 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 -178.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 43.6 ttt180 -71.53 140.1 49.76 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 178.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.06 160.61 23.46 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.923 0.392 . . . . 0.0 111.573 -178.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.33 159.77 31.96 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.114 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -123.66 -120.93 2.59 Favored Glycine 0 C--N 1.332 0.33 0 C-N-CA 120.485 -0.864 . . . . 0.0 113.657 -179.178 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -108.02 -42.3 4.71 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -178.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.67 142.94 21.66 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.08 0.467 . . . . 0.0 111.658 -179.214 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 25.1 p -116.96 139.4 50.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.722 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -65.25 124.24 21.67 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.089 179.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.57 -171.22 2.35 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.92 0.39 . . . . 0.0 111.494 -179.322 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -76.75 -37.75 55.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.835 179.74 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.64 -47.4 73.55 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.017 178.807 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.401 HG22 HG22 ' A' ' 119' ' ' ILE . 67.3 mt -63.32 -35.81 73.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.007 179.012 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -64.37 -47.42 79.36 Favored 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 178.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -58.48 -40.8 83.74 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-N 114.336 -1.302 . . . . 0.0 110.264 178.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.1 m -64.99 -52.49 55.89 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.108 178.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 91.7 mt -55.96 -35.77 41.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.289 179.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.15 -53.13 58.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.15 -179.716 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.28 -40.04 95.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.838 0.351 . . . . 0.0 110.191 179.777 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 33.3 mtpt -67.91 -38.8 83.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.355 0.598 . . . . 0.0 109.834 178.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.41 ' HE3' ' HA ' ' A' ' 97' ' ' LYS . 0.0 OUTLIER 57.86 74.49 0.42 Allowed 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.585 -178.623 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 19.6 m -120.61 166.53 14.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.194 -179.114 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 5.1 mmtm -76.39 57.63 1.21 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.097 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 46.8 mt -140.52 118.04 9.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.882 0.372 . . . . 0.0 110.448 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -139.45 165.8 26.25 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.28 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.82 131.92 34.22 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.456 0.646 . . . . 0.0 112.006 -179.432 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -76.66 145.92 38.48 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.001 -1.0 . . . . 0.0 108.731 177.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 35.7 mttp -102.38 -23.87 13.91 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.865 0.364 . . . . 0.0 110.871 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.4 t -60.01 -16.87 34.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.177 179.041 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -84.31 -153.94 0.16 Allowed 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.613 -179.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.31 -54.77 0.08 Allowed 'General case' 0 C--O 1.232 0.173 0 CA-C-O 121.024 0.44 . . . . 0.0 110.718 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 23.4 p80 -68.78 151.41 46.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.894 -0.593 . . . . 0.0 112.022 -179.071 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 96.7 mt -113.23 62.7 0.64 Allowed 'General case' 0 C--O 1.231 0.12 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.407 179.245 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -128.75 122.49 30.74 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.946 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 38.9 pt -107.02 161.05 6.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 120.916 0.388 . . . . 0.0 110.928 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 20.3 p -74.5 172.5 11.88 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.427 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -72.02 -32.11 66.84 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.12 0.486 . . . . 0.0 110.115 179.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 47.1 t80 -50.72 -58.25 6.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.209 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 16.7 m80 -66.3 -39.87 89.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.643 -179.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.427 ' O ' ' HB2' ' A' ' 120' ' ' GLN . 12.6 ttpp -53.0 -50.2 64.66 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.875 0.369 . . . . 0.0 110.241 179.727 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 64.8 t-20 -69.68 -39.95 76.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.351 -179.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 4.4 tt -62.34 -35.37 78.9 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.848 -179.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.401 HG22 HG22 ' A' ' 89' ' ' ILE . 71.6 mt -92.14 -49.42 13.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 -177.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.427 ' HB2' ' O ' ' A' ' 116' ' ' LYS . 9.8 mm-40 -52.22 -38.63 58.53 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 113.202 0.816 . . . . 0.0 113.202 -178.577 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 42.7 m -78.29 29.87 0.18 Allowed 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 115.344 1.609 . . . . 0.0 115.344 -175.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 80.8 t -103.51 -51.14 8.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 177.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 5.1 mtt-85 -100.8 15.18 29.24 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.349 177.15 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -161.89 79.36 0.55 Allowed 'General case' 0 C--O 1.231 0.084 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.047 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 8.4 ttp180 -60.38 -55.89 28.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.122 -179.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.4 mmm180 -124.34 28.12 6.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.206 0.526 . . . . 0.0 110.342 179.029 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 40.4 tttp 57.41 75.18 0.38 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.405 -0.816 . . . . 0.0 112.137 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.17 -0.65 19.2 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.917 177.713 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 13.9 tptp 54.69 -124.74 2.2 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.594 179.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 161.92 -74.26 0.19 Allowed Glycine 0 N--CA 1.445 -0.728 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 34.3 t . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.206 179.029 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 73.7 p . . . . . 0 N--CA 1.484 1.252 0 CA-C-O 120.834 0.349 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 65.2 164.18 0.15 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.856 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 51.86 87.13 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.324 179.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -164.86 50.44 0.28 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.958 -0.639 . . . . 0.0 111.973 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -91.42 164.81 13.69 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.983 0.42 . . . . 0.0 111.35 -179.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.75 151.32 26.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.396 179.699 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 22.4 t -46.89 148.71 1.0 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.457 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 29.8 p -117.52 13.47 14.38 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 58.3 mt -104.6 149.97 25.06 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 178.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.3 mtp180 -114.59 113.9 25.0 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.821 0.343 . . . . 0.0 111.505 -179.203 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -98.54 113.87 26.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.076 179.15 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 59.57 25.92 14.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.709 -179.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 94.19 -1.8 67.8 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.784 -0.722 . . . . 0.0 113.153 179.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -99.93 135.15 41.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 117.196 0.498 . . . . 0.0 111.41 -179.689 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.545 ' O ' ' N ' ' A' ' 77' ' ' GLY . 4.8 tpp85 -77.54 55.75 1.34 Allowed 'General case' 0 C--O 1.226 -0.172 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.069 -179.629 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER 46.63 -70.77 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 113.817 1.043 . . . . 0.0 113.817 -179.619 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.545 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 100.33 -23.24 36.6 Favored Glycine 0 N--CA 1.45 -0.367 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 -178.746 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 45.9 ttt180 -80.93 154.42 27.01 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 178.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.22 158.62 34.87 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.025 0.441 . . . . 0.0 111.709 -178.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.02 159.26 26.28 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.063 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -112.53 -127.75 4.87 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.508 -0.853 . . . . 0.0 113.681 -179.027 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -124.08 -3.0 8.1 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 -178.355 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.444 ' HB2' ' CD ' ' A' ' 116' ' ' LYS . . . -89.44 175.73 7.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.083 0.468 . . . . 0.0 111.631 -179.528 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -136.7 145.8 45.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.648 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -78.78 112.97 16.45 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 178.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 87.9 p -119.85 -164.9 1.11 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.352 -178.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.7 mmmm -79.2 -44.49 21.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.137 179.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -51.06 -50.76 58.03 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.564 -179.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 69.5 mt -59.73 -39.63 80.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.346 179.544 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -60.54 -31.1 70.21 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.014 0.435 . . . . 0.0 109.835 179.02 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.6 tmtp? -75.58 -43.79 46.48 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.638 179.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.0 m -59.44 -32.25 70.04 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.939 178.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 79.5 mt -79.4 -47.06 22.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.853 178.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.5 t -51.27 -53.99 30.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.085 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -61.77 -16.04 46.3 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.755 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.454 ' HE3' ' CG1' ' A' ' 122' ' ' VAL . 45.7 mttp -92.66 -37.04 12.63 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 177.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.77 73.18 0.46 Allowed 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.459 -178.332 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 9.1 m -120.39 179.13 2.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.246 -179.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.17 53.11 2.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.273 -179.566 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 88.8 mt -128.71 118.27 46.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.151 179.094 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -143.18 170.1 16.36 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.745 -179.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 22.2 tp -94.34 140.25 30.03 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.234 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -88.66 162.45 16.3 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 178.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.8 mtmm -102.92 -13.41 16.94 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.605 -0.438 . . . . 0.0 112.115 -178.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 86.8 p -66.8 -32.01 73.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.754 0.311 . . . . 0.0 111.591 -179.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -82.22 139.44 34.25 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.938 0.399 . . . . 0.0 112.055 -178.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.11 -27.2 13.94 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.672 179.447 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 25.2 p80 -91.64 149.77 21.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.992 -178.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 73.8 mt -110.67 80.73 1.34 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.506 179.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -140.1 106.37 5.26 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.268 179.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 32.5 pt -90.56 165.42 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.95 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 21.1 p -78.82 173.5 12.45 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.45 179.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 63.4 t0 -73.5 -23.38 60.03 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.601 179.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -62.46 -61.34 2.51 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.257 -179.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 22.9 m170 -63.04 -28.78 70.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.439 -179.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.444 ' CD ' ' HB2' ' A' ' 83' ' ' ALA . 18.2 ttpp -66.13 -53.96 31.36 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.864 0.364 . . . . 0.0 110.437 179.769 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -66.21 -30.93 71.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.12 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.428 ' O ' ' CG2' ' A' ' 122' ' ' VAL . 6.0 tt -70.83 -52.05 22.8 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.799 -179.095 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 79.1 mt -76.55 -42.89 35.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -178.001 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.421 ' HB2' ' O ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -65.35 -32.53 74.22 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 -178.466 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 74.4 m -104.95 34.89 2.99 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 115.33 1.604 . . . . 0.0 115.33 -175.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.454 ' CG1' ' HE3' ' A' ' 96' ' ' LYS . 69.6 t -106.52 -45.93 8.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 C-N-CA 120.177 -0.609 . . . . 0.0 109.82 177.661 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 61.8 mtp180 -89.05 -29.95 19.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.047 0.451 . . . . 0.0 110.0 178.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 49.56 81.03 0.06 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.402 -179.569 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 16.9 ttt85 -75.59 70.96 2.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.802 0.334 . . . . 0.0 111.449 -179.099 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 8.2 ttt180 -93.21 55.03 2.22 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.052 179.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 11.3 mttp -137.64 92.86 2.73 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.249 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 20.6 tpp180 56.9 101.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.281 179.105 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -115.94 -50.97 2.66 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.104 0.478 . . . . 0.0 110.404 179.655 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 140.97 177.53 16.34 Favored Glycine 0 N--CA 1.448 -0.515 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.871 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 34.0 p . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.311 -0.852 . . . . 0.0 110.746 179.794 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 16.1 p . . . . . 0 N--CA 1.485 1.305 0 CA-C-O 120.984 0.421 . . . . 0.0 110.821 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 49.74 72.52 0.31 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.29 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -148.99 25.01 0.93 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.984 178.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -115.46 66.44 0.29 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.973 -0.632 . . . . 0.0 112.215 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 69.2 mm-40 -107.49 162.65 13.75 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.898 0.38 . . . . 0.0 110.683 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -117.77 152.29 35.59 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 179.773 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 53.5 t -41.27 144.97 0.27 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.516 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 20.6 p -108.33 28.84 7.92 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.933 0.397 . . . . 0.0 111.527 -179.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 30.2 mt -130.49 161.4 31.52 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.666 178.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.461 ' HD2' ' HD3' ' A' ' 75' ' ' ARG . 6.2 mtm180 -127.55 117.94 23.02 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.701 0.286 . . . . 0.0 110.833 179.711 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -94.78 122.0 36.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.905 0.383 . . . . 0.0 110.001 179.156 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 54.26 30.81 13.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.736 -179.25 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 92.0 -12.26 69.98 Favored Glycine 0 CA--C 1.519 0.338 0 C-N-CA 120.784 -0.722 . . . . 0.0 113.24 179.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -91.81 139.11 30.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.885 0.343 . . . . 0.0 111.431 -179.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.476 ' O ' ' N ' ' A' ' 77' ' ' GLY . 1.6 tpp85 -75.36 59.99 1.1 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.518 -179.139 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 6.9 t 47.39 -78.58 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 113.318 0.859 . . . . 0.0 113.318 179.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 113.94 -23.93 12.42 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.622 -0.799 . . . . 0.0 111.763 -178.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 45.6 mtt-85 -88.81 148.62 23.81 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 179.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.11 157.92 37.36 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.013 0.435 . . . . 0.0 111.969 -178.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.39 155.45 18.06 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.017 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -109.36 -114.21 3.66 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.513 -0.851 . . . . 0.0 113.548 -179.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -133.32 -33.63 1.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.454 0.538 . . . . 0.0 112.454 -178.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.42 175.83 0.71 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.041 0.448 . . . . 0.0 112.096 -179.29 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.0 p -130.24 161.72 30.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.427 179.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -91.19 108.1 19.65 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.115 179.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 62.0 p -112.68 -164.33 0.91 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.098 -179.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.0 tppp? -79.27 -42.71 25.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.277 178.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -53.01 -37.55 61.58 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.808 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.405 HG22 HG21 ' A' ' 119' ' ' ILE . 8.3 mt -70.14 -48.14 63.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 178.74 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.12 -43.77 70.75 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.552 0.691 . . . . 0.0 109.493 178.702 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.3 mmtp -66.2 -42.9 88.17 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 114.888 -1.051 . . . . 0.0 110.152 179.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 28.1 t -59.22 -32.27 69.8 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.321 179.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 89' ' ' ILE . 70.7 mt -79.97 -39.79 19.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.388 179.423 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.0 m -61.82 -37.83 85.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.265 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -70.65 -36.98 73.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.886 0.374 . . . . 0.0 110.25 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.436 ' HE3' ' CG1' ' A' ' 122' ' ' VAL . 29.3 mttp -73.49 -45.98 50.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.271 0.558 . . . . 0.0 110.135 178.544 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 73.83 75.89 0.13 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.366 -178.446 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 23.8 m -128.37 166.57 25.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.119 -179.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 10.6 mttp -80.19 63.66 4.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.324 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 74.0 mt -135.37 105.1 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.398 179.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -127.58 153.91 45.83 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.429 179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.06 124.67 28.32 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.994 0.426 . . . . 0.0 111.83 -179.459 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -65.46 154.07 39.54 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 177.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.4 mtpp -105.17 -18.58 14.09 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.642 -0.423 . . . . 0.0 111.604 -179.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 47.3 p -74.13 -6.96 50.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.627 -0.261 . . . . 0.0 111.354 179.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -61.43 -176.62 0.08 Allowed 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 121.219 0.533 . . . . 0.0 112.109 -179.221 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 8.3 mtm180 -148.14 20.31 1.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.398 179.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 33.6 p80 -168.41 169.27 10.7 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.799 -179.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 88.3 mt -123.24 77.64 1.5 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.101 179.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -141.2 106.59 5.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.338 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 43.9 pt -87.12 159.57 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.942 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 25.1 p -76.39 165.7 24.47 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.689 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -63.38 -39.91 95.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.186 179.271 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -48.23 -61.48 1.97 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.566 -179.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 22.6 m170 -66.95 -34.17 77.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.801 -179.203 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 6.7 ttpp -55.87 -50.64 70.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.023 0.439 . . . . 0.0 110.709 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.25 -41.49 73.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.392 -179.438 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 10.5 tt -60.14 -40.23 89.1 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.821 -179.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.426 HD11 HG21 ' A' ' 119' ' ' ILE . 50.0 mt -83.92 -43.88 17.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 -178.224 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.403 ' O ' ' HB3' ' A' ' 124' ' ' ASN . 95.7 mt-30 -69.19 -35.67 76.49 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 -178.643 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 95.5 p -77.72 6.82 6.66 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 114.463 1.283 . . . . 0.0 114.463 -176.203 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.436 ' CG1' ' HE3' ' A' ' 96' ' ' LYS . 51.8 t -108.65 102.56 14.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 C-N-CA 120.065 -0.654 . . . . 0.0 110.843 178.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.463 ' HD3' ' HD2' ' A' ' 126' ' ' ARG . 92.6 mtt-85 49.04 62.04 2.81 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-O 121.463 0.649 . . . . 0.0 111.408 -179.35 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . 0.403 ' HB3' ' O ' ' A' ' 120' ' ' GLN . 0.8 OUTLIER -73.28 -21.02 60.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.003 -0.999 . . . . 0.0 111.657 -179.928 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 14.4 ttm105 -114.08 35.27 4.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.85 0.357 . . . . 0.0 111.463 -179.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.463 ' HD2' ' HD3' ' A' ' 123' ' ' ARG . 3.4 tpm_? -89.66 19.7 4.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.06 178.496 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -145.75 85.97 1.71 Allowed 'General case' 0 N--CA 1.449 -0.505 0 CA-C-O 121.073 0.463 . . . . 0.0 110.642 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -131.34 150.71 52.04 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.536 179.098 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -103.71 44.23 1.03 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.369 0.604 . . . . 0.0 110.661 179.774 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -177.18 -33.28 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.263 0 CA-C-N 115.145 -0.934 . . . . 0.0 111.924 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 26.9 t . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.663 179.319 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.482 1.142 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -107.0 -6.22 17.63 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.641 -0.424 . . . . 0.0 110.31 177.379 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -82.26 75.07 9.2 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 177.073 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 120.71 83.56 0.76 Allowed Glycine 0 N--CA 1.447 -0.582 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 -178.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 72.1 mm-40 -54.12 170.73 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.166 0.508 . . . . 0.0 111.961 -178.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 64.7 mt -108.86 155.99 20.18 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.642 179.558 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 32.0 t -60.16 149.81 31.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.893 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 61.3 m -117.51 39.92 3.19 Favored 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -179.238 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 54.8 mt -122.18 158.45 29.36 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 178.239 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.404 ' O ' ' HA ' ' A' ' 100' ' ' ILE . 49.8 mtm180 -129.75 129.42 44.12 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.46 -0.337 . . . . 0.0 111.172 -179.549 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -105.01 107.01 17.76 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.997 178.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 39.9 t0 64.23 30.74 13.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.607 -179.205 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 96.96 -29.72 10.16 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.882 -0.675 . . . . 0.0 113.14 179.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -78.12 139.31 39.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.027 0.441 . . . . 0.0 111.643 -179.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.2 tpp85 -76.12 146.53 39.21 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.907 -179.078 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 47.6 t -65.22 -83.84 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.618 179.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 110.99 -30.99 7.58 Favored Glycine 0 C--N 1.333 0.376 0 C-N-CA 120.326 -0.94 . . . . 0.0 113.181 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 37.4 ttt85 -59.79 144.43 48.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.729 0.3 . . . . 0.0 110.71 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.14 156.09 1.73 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.439 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.99 162.42 28.6 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.375 179.27 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -115.4 -134.0 5.49 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.294 -0.955 . . . . 0.0 113.975 -178.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -111.65 -20.2 12.21 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 111.852 0.316 . . . . 0.0 111.852 -178.334 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.42 ' CB ' ' HG3' ' A' ' 116' ' ' LYS . . . -80.7 168.8 18.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.109 0.48 . . . . 0.0 111.673 -179.382 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.2 m -133.51 145.28 50.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.638 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -63.73 131.15 46.98 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 178.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 61.1 p -142.18 -176.84 4.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.138 0.494 . . . . 0.0 111.719 -179.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.1 mmmm -72.39 -42.09 65.59 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.903 179.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -52.76 -43.94 66.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.951 179.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.402 HG23 HG21 ' A' ' 119' ' ' ILE . 9.7 mt -65.32 -39.09 84.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.137 179.22 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -58.35 -40.77 83.11 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 178.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.2 tptm -63.98 -50.34 68.94 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.567 178.55 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 9.6 t -52.78 -36.68 58.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.248 179.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 96.5 mt -74.44 -42.99 49.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.484 179.304 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 6.9 t -57.55 -39.38 76.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.11 -179.588 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -69.78 -40.48 76.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.018 0.437 . . . . 0.0 110.151 179.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.433 ' O ' ' HB2' ' A' ' 97' ' ' LYS . 23.8 mtpp -67.24 -42.4 84.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.502 179.201 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.433 ' HB2' ' O ' ' A' ' 96' ' ' LYS . 9.5 mmtt 68.06 57.0 0.51 Allowed 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.647 -178.453 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 20.7 m -106.74 160.07 6.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.468 -179.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 4.3 mmtm -77.67 55.32 1.32 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.406 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.404 ' HA ' ' O ' ' A' ' 70' ' ' ARG . 61.7 mt -125.84 123.48 64.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.883 0.373 . . . . 0.0 110.477 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -142.87 145.06 32.76 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.612 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.7 tp -68.44 134.78 50.68 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.087 -0.506 . . . . 0.0 112.0 -179.357 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 52.9 t0 -86.79 122.05 30.13 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 177.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.4 mtpp -79.64 -13.47 59.47 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -178.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 40.3 p -82.7 9.56 9.37 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-O 120.57 0.224 . . . . 0.0 111.185 179.342 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -78.48 -135.52 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 116.719 -0.219 . . . . 0.0 111.429 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 12.4 tpp85 -161.49 -62.28 0.05 Allowed 'General case' 0 C--N 1.34 0.164 0 CA-C-O 121.236 0.541 . . . . 0.0 110.428 -179.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 18.3 p80 -94.86 -177.94 4.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.721 -178.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 85.3 mt -133.14 69.27 1.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.07 179.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -140.48 95.85 2.94 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.065 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 40.8 pt -73.68 169.89 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.131 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 8.7 p -80.34 169.21 18.05 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.585 179.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -68.41 -39.78 81.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.179 0.514 . . . . 0.0 110.153 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -50.24 -61.46 2.15 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.46 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 10.5 m170 -64.88 -36.04 83.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.829 -179.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.42 ' HG3' ' CB ' ' A' ' 83' ' ' ALA . 8.3 ttpp -55.48 -53.75 52.43 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.046 0.451 . . . . 0.0 110.528 179.712 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -64.75 -42.53 95.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.621 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 3.2 tt -57.28 -41.9 80.61 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.875 -178.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.441 HD13 HG21 ' A' ' 119' ' ' ILE . 49.5 mt -81.99 -43.83 19.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 -178.021 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -73.94 -34.02 64.15 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 113.475 0.917 . . . . 0.0 113.475 -178.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 5.7 t -76.79 -0.4 23.71 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 114.54 1.311 . . . . 0.0 114.54 -175.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 84.6 t -81.0 -34.51 13.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 C-N-CA 120.134 -0.626 . . . . 0.0 110.248 179.132 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.431 ' HB2' ' CZ ' ' A' ' 123' ' ' ARG . 7.4 mtm-85 -104.74 -35.89 7.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.932 179.184 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 46.22 45.48 12.94 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.94 179.777 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 3.5 mtp180 -96.38 114.67 26.37 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -179.13 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.437 ' O ' ' N ' ' A' ' 128' ' ' ARG . 24.4 mtp180 -105.25 -84.44 0.5 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.797 178.534 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 50.76 -85.91 0.01 OUTLIER 'General case' 0 CA--C 1.528 0.12 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.706 179.534 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 126' ' ' ARG . 7.1 ptp180 -132.35 -154.47 0.62 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.76 -44.41 0.48 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 118.965 0.802 . . . . 0.0 111.191 179.693 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -168.29 101.16 0.17 Allowed Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.394 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 12.9 t . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.175 -0.917 . . . . 0.0 110.714 179.735 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 N--CA 1.484 1.26 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -111.78 22.31 15.09 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 121.007 0.432 . . . . 0.0 110.879 178.694 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -149.79 45.61 0.93 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.841 179.186 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -168.65 48.57 0.22 Allowed Glycine 0 N--CA 1.451 -0.357 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.85 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.404 ' O ' ' HA ' ' A' ' 79' ' ' ALA . 10.4 mm100 -77.42 177.24 8.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.784 0.326 . . . . 0.0 111.2 -179.561 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 37.6 mt -118.14 152.61 35.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.713 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 48.6 t -45.95 151.2 0.49 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.955 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 31.3 p -113.84 23.71 12.77 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -179.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 96.8 mt -104.61 150.93 24.24 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 178.394 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 78.7 mtp180 -117.6 119.55 35.33 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.781 0.324 . . . . 0.0 111.045 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -96.08 113.26 24.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.876 179.026 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 58.23 24.15 11.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.456 -178.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 96.57 -6.55 65.3 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.879 -0.677 . . . . 0.0 113.156 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -95.58 126.04 40.59 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.16 0.505 . . . . 0.0 111.302 -179.544 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.6 tpp85 -65.84 115.1 5.6 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.556 -0.747 . . . . 0.0 112.26 -178.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 51.4 t -55.08 114.07 1.62 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.228 179.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -94.72 55.17 1.95 Allowed Glycine 0 CA--C 1.519 0.293 0 C-N-CA 120.673 -0.775 . . . . 0.0 113.329 -179.124 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 55.0 ttt85 -127.93 146.56 50.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.757 0.313 . . . . 0.0 110.533 179.197 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.404 ' HA ' ' O ' ' A' ' 65' ' ' GLN . . . -55.68 135.92 51.0 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.935 -179.31 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.21 147.17 48.53 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.099 179.095 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -96.17 -130.38 6.36 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.559 -0.829 . . . . 0.0 113.851 -178.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -121.19 -12.83 8.62 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 -178.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.408 ' HB1' ' HD2' ' A' ' 116' ' ' LYS . . . -71.53 171.12 11.94 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.939 0.4 . . . . 0.0 111.461 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 69.9 p -139.74 125.26 19.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.944 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -51.67 137.04 26.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.093 179.285 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -144.56 -158.75 0.91 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.795 -179.255 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.1 mttp -80.32 -51.58 8.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 112.094 178.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 5.6 tmm_? -51.17 -36.89 43.35 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.968 -179.136 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 47.9 mt -69.34 -39.04 78.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 179.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.99 -49.16 78.57 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 178.337 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.425 ' HA ' ' HE3' ' A' ' 91' ' ' LYS . 0.0 OUTLIER -59.63 -38.14 80.54 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 114.928 -1.033 . . . . 0.0 110.074 179.384 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.416 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 41.2 t -62.09 -50.69 70.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.82 178.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 88.4 mt -58.36 -40.83 79.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.452 179.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 73.4 m -62.51 -36.64 83.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.065 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 9.0 tp60 -70.55 -25.05 62.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.893 0.377 . . . . 0.0 110.198 179.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.416 ' HG3' ' O ' ' A' ' 92' ' ' SER . 32.7 mttm -82.7 -41.86 18.79 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.405 178.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.412 ' HB2' ' O ' ' A' ' 96' ' ' LYS . 0.1 OUTLIER 72.6 69.83 0.13 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.298 -0.865 . . . . 0.0 109.322 -177.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 33.7 m -132.46 172.62 16.09 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.374 -179.167 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 16.1 mmtm -93.95 66.93 3.67 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.458 -179.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 54.1 mt -138.38 98.3 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.359 179.244 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -123.42 175.08 6.95 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.876 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 33.6 tp -89.86 136.29 33.13 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.292 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -80.59 155.15 27.04 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 178.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 8.5 mttm -104.12 -24.23 13.2 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 120.368 -0.533 . . . . 0.0 111.51 -179.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 7.8 p -70.94 -16.82 62.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.648 0.261 . . . . 0.0 110.937 179.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -66.06 -165.78 0.03 OUTLIER 'General case' 0 C--O 1.231 0.091 0 CA-C-O 120.96 0.41 . . . . 0.0 111.757 -179.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.1 -67.42 0.39 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.886 -179.812 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 27.4 p80 -74.86 153.8 38.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.956 -179.06 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 93.9 mt -111.05 77.99 1.08 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.593 179.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -142.75 129.55 20.48 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.267 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 19.1 pt -105.11 168.11 2.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.984 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 14.0 p -84.53 167.79 16.02 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.666 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.33 -31.42 72.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.072 0.463 . . . . 0.0 110.267 179.679 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 58.1 t80 -56.63 -61.99 2.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.457 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 19.7 m80 -65.98 -39.28 90.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.527 -179.133 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.408 ' HD2' ' HB1' ' A' ' 83' ' ' ALA . 0.6 OUTLIER -54.2 -44.63 71.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.985 0.421 . . . . 0.0 110.449 179.801 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -73.82 -37.5 64.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.937 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 7.5 tt -61.67 -37.33 83.71 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.558 -179.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 53.5 mt -90.23 -53.56 8.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 -177.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -61.17 -30.83 70.64 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 -178.247 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -102.09 45.1 0.98 Allowed 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 114.5 1.296 . . . . 0.0 114.5 -176.294 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 81.9 t -122.6 -44.04 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 177.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 9.6 mtm-85 -91.17 48.09 1.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 178.425 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 19.7 p-10 -122.75 -32.85 3.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.573 -179.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -134.16 178.87 6.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.431 0.634 . . . . 0.0 111.947 -178.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 3.0 mtp180 -119.58 23.07 11.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.096 -0.956 . . . . 0.0 110.023 179.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 4.1 mmtp -147.6 108.4 4.18 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.393 -179.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 11.7 ptp85 -78.1 170.42 16.65 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 178.279 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 26.8 tttp -124.24 -20.28 5.3 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 121.026 -0.27 . . . . 0.0 111.504 179.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 125.87 125.38 2.87 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.811 -0.709 . . . . 0.0 111.836 -179.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.338 -0.839 . . . . 0.0 110.828 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.5 t . . . . . 0 N--CA 1.484 1.229 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -111.53 131.66 55.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.919 0.39 . . . . 0.0 110.054 178.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -139.95 -31.4 0.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.708 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -86.45 44.34 3.32 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.615 -0.803 . . . . 0.0 112.71 179.579 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -73.63 -172.58 1.26 Allowed 'General case' 0 CA--C 1.518 -0.267 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.1 mp -117.44 137.63 52.38 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-O 121.395 0.617 . . . . 0.0 112.317 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 24.6 t -45.25 142.72 1.94 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 114.926 -1.034 . . . . 0.0 111.404 -179.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 20.5 p -106.31 11.49 30.98 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.831 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.425 HD21 ' HA ' ' A' ' 102' ' ' LEU . 53.6 mt -98.97 162.9 12.82 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.86 0.362 . . . . 0.0 110.174 178.123 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.432 ' HG2' ' HD3' ' A' ' 75' ' ' ARG . 35.7 mtp180 -122.54 143.09 49.95 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.812 -179.732 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -124.45 110.61 14.73 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.068 179.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 59.04 25.18 13.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.663 -179.177 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 102.22 -10.07 56.51 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.787 -0.72 . . . . 0.0 113.245 179.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.405 ' HA ' ' OE1' ' A' ' 74' ' ' GLU . 3.7 mm-40 -94.55 135.25 36.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 117.025 0.412 . . . . 0.0 111.472 -179.701 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.517 ' O ' ' N ' ' A' ' 77' ' ' GLY . 0.5 OUTLIER -78.62 58.89 2.35 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.473 -179.327 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 3.8 t 44.73 -76.94 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 179.1 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 105.23 -37.4 3.83 Favored Glycine 0 N--CA 1.451 -0.361 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -178.686 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 31.7 ttt180 -65.43 150.39 48.42 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 178.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.52 162.69 29.05 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.295 -179.128 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -80.76 146.29 31.07 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.301 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -111.78 -142.54 8.83 Favored Glycine 0 C--N 1.334 0.428 0 C-N-CA 120.737 -0.744 . . . . 0.0 113.995 -179.013 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -97.11 24.21 6.56 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -178.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.434 ' HB3' ' CG1' ' A' ' 111' ' ' ILE . . . -113.4 153.16 29.04 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.026 0.441 . . . . 0.0 111.525 -179.753 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 69.2 p -122.99 152.31 41.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.604 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -90.7 116.48 28.6 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.011 179.239 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 96.5 p -118.3 -168.09 1.47 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.032 -179.386 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.14 -34.2 49.95 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.869 178.39 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.28 -46.53 83.03 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 120.774 0.321 . . . . 0.0 110.619 179.68 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.402 HG23 HG23 ' A' ' 119' ' ' ILE . 87.5 mt -65.55 -33.81 66.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.085 0.469 . . . . 0.0 110.046 179.028 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.27 -48.5 75.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.485 0.659 . . . . 0.0 109.523 178.767 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.13 -43.24 99.19 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.714 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.5 m -59.14 -49.84 76.32 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 178.456 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 89' ' ' ILE . 57.0 mt -56.92 -35.83 48.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.736 178.688 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 40.8 m -62.96 -43.31 99.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.958 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -68.92 -35.12 76.45 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.133 0.492 . . . . 0.0 109.993 179.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 26.0 mtpt -73.68 -33.97 64.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.905 178.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 55.42 59.94 3.64 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.402 -178.689 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 31.3 m -108.12 172.85 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.378 -179.278 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 23.6 mtmm -85.63 58.84 5.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.049 0.452 . . . . 0.0 111.399 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 64.7 mt -138.06 125.75 29.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.045 179.034 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -153.09 149.75 28.41 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.785 -179.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.425 ' HA ' HD21 ' A' ' 69' ' ' LEU . 32.0 tp -60.55 142.97 54.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.294 0.568 . . . . 0.0 112.023 -179.313 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 41.4 t0 -99.87 137.01 38.93 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 177.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 38.0 mmtm -96.29 -20.33 18.61 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -178.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 82.8 p -55.22 -21.31 13.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.667 0.27 . . . . 0.0 111.229 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -75.26 175.13 8.63 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.23 0.538 . . . . 0.0 112.211 -179.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.12 -27.04 8.53 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.498 179.544 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 11.6 p80 -125.58 176.64 6.72 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.405 -179.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 94.6 mt -101.07 -121.46 0.16 Allowed 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.411 178.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 63.04 119.97 0.02 OUTLIER 'General case' 0 N--CA 1.456 -0.174 0 CA-C-O 121.134 0.492 . . . . 0.0 111.687 179.316 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.434 ' CG1' ' HB3' ' A' ' 83' ' ' ALA . 28.0 pt -113.25 156.47 14.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.292 179.299 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 17.4 p -73.51 165.6 24.77 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.722 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -66.16 -27.8 68.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.307 179.499 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 93.6 t80 -56.53 -61.68 2.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.539 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 24.3 m170 -65.2 -36.44 84.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.619 -179.24 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 9.5 ttpp -56.84 -53.11 61.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.001 0.429 . . . . 0.0 110.543 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -66.44 -43.22 86.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.199 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 6.7 tt -58.6 -44.21 89.79 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.779 -179.263 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.402 HG23 HG23 ' A' ' 89' ' ' ILE . 74.8 mt -78.13 -53.22 14.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 113.14 0.793 . . . . 0.0 113.14 -178.078 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -57.68 -41.12 80.93 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 -178.403 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 82.9 p -76.76 4.1 10.37 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 114.48 1.289 . . . . 0.0 114.48 -175.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 98.3 t -88.53 -32.32 5.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 118.459 0.572 . . . . 0.0 110.158 178.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 59.1 mtp180 -107.38 -14.37 14.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.499 178.147 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 63.4 t30 48.33 53.79 11.36 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 121.095 0.474 . . . . 0.0 110.287 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -82.34 -95.54 0.05 Allowed 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.494 -178.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 3.5 ttm-85 -88.25 178.15 6.68 Favored 'General case' 0 N--CA 1.457 -0.113 0 O-C-N 121.995 -0.441 . . . . 0.0 109.973 179.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 4.9 tmtp? -172.91 149.5 1.92 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.098 0.475 . . . . 0.0 111.114 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 10.1 ptt180 -92.87 -177.52 4.54 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 178.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.35 -34.16 0.13 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.727 0.299 . . . . 0.0 111.211 179.668 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -165.31 -142.23 3.36 Favored Glycine 0 N--CA 1.446 -0.657 0 N-CA-C 111.427 -0.669 . . . . 0.0 111.427 178.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.915 179.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 83.0 p . . . . . 0 N--CA 1.482 1.163 0 N-CA-C 111.661 0.245 . . . . 0.0 111.661 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -145.4 -39.16 0.25 Allowed 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.349 179.134 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -129.68 5.14 5.06 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.418 177.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -140.81 64.32 0.52 Allowed Glycine 0 C--N 1.337 0.585 0 C-N-CA 121.166 -0.54 . . . . 0.0 111.772 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -80.45 -173.84 4.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.961 0.41 . . . . 0.0 111.065 -179.639 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 16.6 mt -121.47 160.11 24.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.537 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.4 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 43.7 t -63.39 158.5 20.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.615 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 88.7 m -121.66 36.09 4.71 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -178.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 77.3 mt -121.12 152.05 39.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.701 0.286 . . . . 0.0 110.305 178.197 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 50.6 mtp85 -123.53 121.58 36.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.064 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -103.63 118.49 36.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.249 179.181 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 54.9 49.86 16.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.687 -179.371 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 64.42 10.56 43.27 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.934 -0.65 . . . . 0.0 113.077 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -114.1 125.62 54.18 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 121.033 0.444 . . . . 0.0 111.021 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.5 tpt180 -66.6 134.21 51.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.649 -0.705 . . . . 0.0 112.083 -178.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.4 ' HB3' ' HB3' ' A' ' 67' ' ' CYS . 42.5 t -52.7 -68.51 0.16 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.594 179.399 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 85.51 -12.44 58.92 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.689 -0.767 . . . . 0.0 113.206 179.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 58.1 ttt85 -71.8 141.85 49.67 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.853 0.359 . . . . 0.0 110.641 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.02 134.69 43.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.775 -179.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.83 155.01 28.11 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.008 179.074 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -113.12 -112.5 3.11 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.21 -0.995 . . . . 0.0 113.805 -178.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -126.21 -17.39 5.24 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -178.45 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -83.68 162.12 20.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.156 0.503 . . . . 0.0 112.078 -178.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 83.0 p -124.41 157.53 34.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.448 179.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -80.52 122.39 26.97 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.739 179.3 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 54.4 p -128.6 -169.07 2.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.205 0.526 . . . . 0.0 111.635 -179.07 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 29.7 mttp -78.04 -39.8 40.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.381 179.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.448 ' NE ' HG13 ' A' ' 89' ' ' ILE . 0.0 OUTLIER -53.32 -42.96 67.23 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.324 179.588 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.448 HG13 ' NE ' ' A' ' 88' ' ' ARG . 14.6 mt -69.48 -32.23 52.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.132 179.172 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.85 -46.39 85.24 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 178.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.2 tptp -64.3 -43.37 94.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.481 178.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 13.6 t -56.38 -42.34 77.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.163 179.193 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 63.0 mt -68.58 -47.14 78.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.431 179.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 9.9 t -56.73 -37.57 71.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.036 -179.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -70.2 -41.06 74.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.989 0.423 . . . . 0.0 109.954 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.402 ' HE2' HG21 ' A' ' 122' ' ' VAL . 4.3 mtpm? -69.32 -35.06 75.57 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.425 179.103 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 17.1 mmtp 65.38 80.37 0.23 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.62 -178.555 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 17.1 m -141.31 171.2 12.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.089 -179.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.8 mttp -90.02 70.42 7.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.152 0.501 . . . . 0.0 111.459 -179.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 61.3 mt -137.8 118.5 16.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.199 179.234 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -148.51 172.33 14.67 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.611 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 41.9 tp -85.52 144.93 27.64 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.631 -179.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -99.84 127.91 45.97 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 178.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 5.6 mmtp -75.13 -3.08 30.71 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -178.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 51.8 p -79.8 -21.1 44.7 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 121.106 -0.237 . . . . 0.0 111.115 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -77.98 -163.53 0.43 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.873 0.368 . . . . 0.0 111.744 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -141.87 -73.53 0.31 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.331 -179.479 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -66.44 166.27 12.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.619 -178.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 23.7 mt -116.94 82.73 1.85 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.708 178.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -144.07 113.24 6.86 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.303 -179.184 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 25.8 pt -98.56 156.48 3.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.171 -179.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 21.5 p -69.08 164.17 23.1 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.464 179.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -64.91 -40.21 94.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.051 0.453 . . . . 0.0 110.594 179.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -47.7 -60.29 2.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.14 -179.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -61.81 -42.37 98.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.632 -179.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 10.0 ttpp -50.7 -47.63 58.94 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.103 0.478 . . . . 0.0 110.612 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -68.72 -46.4 69.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.186 -179.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 6.7 tt -55.91 -38.29 70.05 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.773 -179.453 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.421 HD12 HG22 ' A' ' 119' ' ' ILE . 57.6 mt -87.85 -55.05 6.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 113.515 0.932 . . . . 0.0 113.515 -177.771 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -61.24 -44.47 97.2 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 114.045 1.128 . . . . 0.0 114.045 -177.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.419 ' O ' ' ND2' ' A' ' 124' ' ' ASN . 8.2 t -68.1 7.3 0.58 Allowed 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 114.663 1.357 . . . . 0.0 114.663 -176.071 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.402 HG21 ' HE2' ' A' ' 96' ' ' LYS . 75.6 t -87.16 -53.28 10.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 118.527 0.603 . . . . 0.0 110.274 178.271 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 14.2 mtp180 -90.35 -12.18 38.44 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.934 178.561 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . 0.419 ' ND2' ' O ' ' A' ' 121' ' ' SER . 1.6 m120 49.68 80.83 0.06 Allowed 'General case' 0 C--O 1.231 0.085 0 CA-C-O 120.79 0.329 . . . . 0.0 110.253 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.28 101.2 7.03 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.91 -178.657 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -129.67 23.47 5.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.25 178.497 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 58.62 76.16 0.36 Allowed 'General case' 0 N--CA 1.461 0.124 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.37 179.697 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.87 -171.11 3.84 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.247 178.512 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.67 -86.98 0.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.316 -0.554 . . . . 0.0 111.739 -179.056 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 104.78 33.76 3.71 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.437 -0.887 . . . . 0.0 112.384 -178.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 12.0 p . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.318 -0.849 . . . . 0.0 110.79 179.702 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.4 ' OG ' ' N ' ' A' ' 62' ' ' ASN . 83.6 p . . . . . 0 N--CA 1.484 1.225 0 N-CA-C 111.609 0.225 . . . . 0.0 111.609 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.4 ' N ' ' OG ' ' A' ' 61' ' ' SER . 0.2 OUTLIER -113.74 -29.13 7.2 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.472 -179.5 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -114.12 27.28 9.62 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.058 0.456 . . . . 0.0 110.065 178.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -142.09 71.32 0.41 Allowed Glycine 0 N--CA 1.45 -0.384 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.959 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 -102.39 -159.54 0.73 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.781 0.324 . . . . 0.0 110.751 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 19.7 mt -127.48 147.35 50.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.615 179.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.409 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 20.1 t -54.18 142.59 25.31 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.665 179.649 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 94.0 m -106.7 36.89 2.48 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 112.095 0.405 . . . . 0.0 112.095 -179.002 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 40.3 mt -128.63 160.37 32.66 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 178.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 64.4 mtp85 -129.09 125.57 37.47 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.871 0.367 . . . . 0.0 111.127 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -105.61 112.8 26.02 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.857 179.037 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 68.39 41.87 1.73 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.699 -179.037 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 66.29 7.59 39.73 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.941 -0.647 . . . . 0.0 113.011 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -118.1 130.74 56.31 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.912 0.386 . . . . 0.0 110.431 -179.47 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.7 tpt180 -54.75 141.06 33.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.992 -0.549 . . . . 0.0 112.172 -178.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.409 ' HB3' ' HB3' ' A' ' 67' ' ' CYS . 6.8 t -58.75 -57.47 12.88 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.458 179.491 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 86.96 -15.79 51.08 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.86 -0.686 . . . . 0.0 113.128 179.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.41 ' HD3' ' HB2' ' A' ' 112' ' ' CYS . 49.4 ttt85 -80.65 131.57 35.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.769 0.319 . . . . 0.0 110.593 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.31 153.0 0.54 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.612 -179.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.88 155.37 40.66 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.208 179.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -104.52 -112.27 3.69 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.349 -0.929 . . . . 0.0 113.73 -178.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -128.91 -37.59 1.71 Allowed 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 -178.512 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.11 171.88 5.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.235 0.54 . . . . 0.0 112.114 -178.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 96.1 p -134.63 143.9 47.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.697 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -63.81 130.25 43.39 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.004 179.312 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 60.6 p -136.08 -164.1 1.5 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.063 0.459 . . . . 0.0 111.28 -179.153 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.8 mttp -78.89 -47.34 16.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.976 178.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.68 -40.42 62.89 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.505 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.402 HG22 HG22 ' A' ' 119' ' ' ILE . 47.3 mt -68.68 -31.95 53.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.022 0.439 . . . . 0.0 110.075 178.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.67 -39.13 84.51 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.401 178.695 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 22.3 tptp -66.03 -47.67 73.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.619 178.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.44 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 43.3 t -55.78 -46.18 77.99 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.764 178.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 78.1 mt -65.35 -36.37 77.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.352 179.232 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 24.5 t -64.86 -40.46 95.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.309 -179.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -73.52 -43.32 60.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.756 0.312 . . . . 0.0 110.336 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.44 ' HG3' ' O ' ' A' ' 92' ' ' SER . 16.1 mtpp -64.92 -31.1 72.17 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.154 0.502 . . . . 0.0 109.674 178.645 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 3.3 mmtt 55.89 80.34 0.14 Allowed 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.973 -178.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 15.7 m -128.74 172.12 15.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.856 -179.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 23.0 mttp -90.52 60.24 4.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.02 0.438 . . . . 0.0 111.349 -179.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 68.3 mt -128.17 112.87 28.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.049 179.081 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -130.68 160.4 34.37 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.812 -179.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -85.24 123.58 30.89 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.75 -179.306 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -76.17 109.43 9.83 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 178.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 22.7 mttp -67.82 -7.88 31.42 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.512 0.56 . . . . 0.0 112.512 -178.293 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 87.8 p -70.6 -30.76 67.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.881 0.372 . . . . 0.0 110.662 179.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -69.37 -170.7 0.29 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.995 -179.265 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -131.21 -79.17 0.52 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.404 -179.594 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 28.9 p80 -54.54 160.42 1.78 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.134 0.492 . . . . 0.0 111.659 -179.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 85.9 mt -116.27 81.41 1.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.343 179.215 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -144.61 119.43 9.89 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.498 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 44.2 pt -100.09 158.82 3.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.985 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . 0.41 ' HB2' ' HD3' ' A' ' 78' ' ' ARG . 7.9 p -70.51 168.14 16.88 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.686 179.658 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -67.41 -31.12 71.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.22 0.533 . . . . 0.0 110.181 179.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -54.37 -57.64 10.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.102 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 16.7 m170 -70.68 -35.89 73.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.733 -179.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.412 ' O ' ' HB2' ' A' ' 120' ' ' GLN . 15.7 ttpp -55.55 -53.22 59.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.916 0.389 . . . . 0.0 110.432 179.665 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -70.34 -37.38 74.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.356 -179.402 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 5.4 tt -63.12 -34.24 77.19 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.754 -179.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.402 HG22 HG22 ' A' ' 89' ' ' ILE . 62.6 mt -95.09 -44.48 13.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 113.296 0.85 . . . . 0.0 113.296 -177.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.412 ' HB2' ' O ' ' A' ' 116' ' ' LYS . 3.2 mt-30 -57.86 -42.22 84.04 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 -178.538 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 8.0 t -81.83 49.11 1.3 Allowed 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 114.593 1.331 . . . . 0.0 114.593 -175.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 93.4 t -125.16 -39.31 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 177.418 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 41.3 mtp180 -104.11 -23.74 13.26 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.357 177.219 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 4.7 m120 46.87 30.26 1.18 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.654 179.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.87 112.93 22.23 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -178.443 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 3.0 ttp180 -141.0 18.38 2.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.966 178.148 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 60.9 92.55 0.05 OUTLIER 'General case' 0 C--O 1.23 0.06 0 CA-C-O 121.191 0.519 . . . . 0.0 112.176 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -163.96 -155.35 0.3 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.029 178.79 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.17 -84.78 0.66 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 118.507 0.594 . . . . 0.0 111.635 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 110.86 47.12 0.79 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.128 -178.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.2 p . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.286 -0.864 . . . . 0.0 110.849 179.737 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.1 t . . . . . 0 N--CA 1.481 1.102 0 CA-C-O 119.931 -0.08 . . . . 0.0 111.069 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -131.08 144.68 51.6 Favored 'General case' 0 C--N 1.339 0.15 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 -178.149 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -149.65 111.34 4.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.35 -1.295 . . . . 0.0 108.428 177.965 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 104.21 61.26 0.67 Allowed Glycine 0 N--CA 1.45 -0.376 0 N-CA-C 110.698 -0.961 . . . . 0.0 110.698 -177.927 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 67.4 mm-40 -63.26 169.49 3.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.214 0.531 . . . . 0.0 112.287 -178.617 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 40.0 mt -111.14 147.27 35.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.435 179.494 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 51.3 t -45.95 160.76 0.06 Allowed 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.012 179.887 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 28.8 p -127.84 34.48 4.62 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -179.628 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 95.9 mt -117.59 161.37 19.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.72 0.295 . . . . 0.0 110.431 177.647 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 24.7 mtp180 -120.99 106.57 11.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.122 -179.731 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -84.83 110.45 18.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.293 -0.412 . . . . 0.0 109.977 179.26 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 64.84 44.2 3.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.628 -179.172 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 67.63 5.51 37.91 Favored Glycine 0 CA--C 1.52 0.347 0 C-N-CA 120.943 -0.646 . . . . 0.0 113.013 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -117.2 125.31 50.98 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-O 121.013 0.435 . . . . 0.0 110.907 -179.496 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.6 tpp85 -42.88 157.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.949 -179.233 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 30.7 t -85.66 -71.46 0.53 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.23 179.304 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 99.42 -41.44 2.19 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.926 179.494 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.41 ' HD3' ' HB2' ' A' ' 112' ' ' CYS . 57.5 ttt85 -47.3 140.03 5.83 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.845 0.355 . . . . 0.0 110.975 179.942 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.13 160.77 0.71 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.566 -179.523 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -96.18 150.38 20.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.064 179.01 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -106.02 -104.91 2.98 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.34 -0.933 . . . . 0.0 113.644 -178.928 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -132.69 -9.27 3.17 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -178.763 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -77.0 159.97 29.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.116 0.484 . . . . 0.0 112.016 -178.733 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.5 p -133.11 136.56 45.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.475 179.597 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -70.72 132.34 45.23 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.048 179.315 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -137.42 -158.14 0.84 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.001 -179.686 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.32 -38.04 27.37 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 178.03 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -52.59 -50.37 63.17 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.041 0.448 . . . . 0.0 111.247 -179.364 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 30.1 mt -57.29 -39.76 69.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.123 -179.618 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -59.72 -44.86 93.56 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 178.814 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.8 tptm -56.7 -51.79 67.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.459 178.366 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.416 ' HA ' ' NE ' ' A' ' 123' ' ' ARG . 0.3 OUTLIER -52.75 -50.45 63.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.196 179.732 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 90.9 mt -57.32 -47.02 85.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.475 179.176 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 34.9 m -57.17 -41.24 78.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.265 -179.75 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -73.71 -28.39 61.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.042 0.449 . . . . 0.0 110.423 179.568 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.441 ' NZ ' ' HB ' ' A' ' 122' ' ' VAL . 32.0 mttp -78.8 -46.11 19.47 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.73 179.322 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.435 ' HB2' ' O ' ' A' ' 96' ' ' LYS . 17.2 mmtt 72.7 84.6 0.12 Allowed 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.705 -178.049 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 27.6 m -146.66 161.12 9.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.991 -179.3 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.9 62.84 3.46 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.915 0.388 . . . . 0.0 111.34 -179.796 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 74.4 mt -133.37 113.13 18.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.269 179.13 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -144.72 156.54 44.12 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.048 0.451 . . . . 0.0 110.908 -179.928 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 18.1 tp -71.32 145.01 49.75 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.5 -179.929 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -92.72 138.19 31.71 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 177.719 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.24 -23.17 30.55 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 -178.406 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 77.9 p -62.47 -40.48 96.78 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.603 -179.563 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -54.24 -176.35 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.191 0.52 . . . . 0.0 112.078 -179.063 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.35 -64.83 0.92 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.863 -179.329 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 9.2 p80 -73.68 177.1 5.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.678 -179.237 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 44.5 mt -135.11 88.11 2.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.45 179.168 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -147.63 102.71 3.46 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.434 179.654 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 33.5 pt -79.1 169.27 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 -179.947 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . 0.41 ' HB2' ' HD3' ' A' ' 78' ' ' ARG . 19.2 p -90.82 157.06 17.58 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.611 179.743 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.21 -38.76 54.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.04 0.448 . . . . 0.0 110.545 179.661 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -52.33 -62.28 1.74 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.549 -179.562 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 18.1 m170 -65.78 -33.16 75.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.423 -179.37 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 120' ' ' GLN . 15.8 ttpp -57.36 -53.83 53.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.932 0.396 . . . . 0.0 110.442 179.579 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 24.6 t30 -68.18 -37.79 81.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.114 -179.704 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 4.3 tt -60.61 -39.67 89.03 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.726 -179.087 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.405 ' HA ' ' HE2' ' A' ' 96' ' ' LYS . 50.9 mt -90.89 -35.32 7.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 113.309 0.855 . . . . 0.0 113.309 -177.867 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.404 ' HB2' ' O ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -68.7 -40.36 80.06 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 -178.606 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 35.1 t -99.14 60.59 1.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 114.728 1.381 . . . . 0.0 114.728 -175.685 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.441 ' HB ' ' NZ ' ' A' ' 96' ' ' LYS . 79.6 t -132.84 -39.47 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 177.145 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.416 ' NE ' ' HA ' ' A' ' 92' ' ' SER . 33.7 mtm105 -107.7 17.62 22.38 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.397 177.032 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -39.23 106.74 0.06 Allowed 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.691 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.29 -27.08 15.15 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.943 -179.72 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 11.1 mtm180 -144.16 9.01 1.44 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.407 178.624 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -84.1 -17.61 39.6 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-O 120.612 0.244 . . . . 0.0 110.359 179.397 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.85 -156.81 0.31 Allowed 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 179.182 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.0 -39.15 2.12 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.978 0.418 . . . . 0.0 110.597 179.091 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 167.83 -71.56 0.16 Allowed Glycine 0 N--CA 1.45 -0.371 0 N-CA-C 111.578 -0.609 . . . . 0.0 111.578 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.19 -0.91 . . . . 0.0 110.444 179.204 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.3 p . . . . . 0 N--CA 1.487 1.393 0 N-CA-C 111.755 0.28 . . . . 0.0 111.755 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -160.45 101.03 1.35 Allowed 'General case' 0 C--O 1.231 0.127 0 CA-C-O 121.17 0.51 . . . . 0.0 111.158 179.296 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -156.54 62.16 0.54 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.935 179.278 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 167.32 64.77 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.436 -179.516 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -108.25 -175.15 2.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.901 0.382 . . . . 0.0 111.248 -179.143 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 13.1 mt -135.61 146.94 48.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.715 -179.793 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.4 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 48.0 t -45.47 140.17 3.33 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.138 179.744 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.3 m -107.37 25.59 11.25 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -178.786 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 94.5 mt -107.62 154.99 20.64 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 178.333 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.465 ' HG2' ' HD2' ' A' ' 75' ' ' ARG . 61.0 mtp180 -118.24 112.47 20.14 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.815 0.34 . . . . 0.0 111.386 -179.655 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -100.46 94.72 6.3 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 178.756 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 72.72 42.23 0.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.443 -179.017 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 77.24 -2.37 61.8 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.854 -0.688 . . . . 0.0 113.138 179.832 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -96.8 120.82 37.85 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 121.054 0.454 . . . . 0.0 111.325 -179.622 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.465 ' HD2' ' HG2' ' A' ' 70' ' ' ARG . 8.7 mmm180 -71.28 61.01 0.3 Allowed 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.882 -179.23 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.4 ' HB3' ' HB3' ' A' ' 67' ' ' CYS . 10.9 t 29.86 -92.55 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 179.331 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 123.34 -35.21 3.41 Favored Glycine 0 C--N 1.336 0.571 0 C-N-CA 120.403 -0.903 . . . . 0.0 113.036 -179.964 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 59.9 ttt180 -61.88 154.83 25.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.78 0.324 . . . . 0.0 110.751 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.85 149.14 50.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.798 -179.469 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.79 145.81 55.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.243 179.135 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -98.89 -119.31 4.15 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.462 -0.875 . . . . 0.0 113.813 -178.833 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.406 ' ND2' ' O ' ' A' ' 82' ' ' ASN . 5.6 t30 -131.27 0.59 4.13 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -178.742 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -95.21 167.24 11.48 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.019 0.437 . . . . 0.0 111.658 -179.389 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.5 m -129.15 152.29 48.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.45 179.796 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -78.65 107.07 11.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.951 0.405 . . . . 0.0 109.92 179.071 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 83.0 p -115.54 -162.71 0.84 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.86 -179.214 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.63 -42.07 25.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.812 0.339 . . . . 0.0 111.62 178.965 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -52.94 -39.34 62.8 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-O 121.068 0.461 . . . . 0.0 110.399 -179.268 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.406 HG21 HG21 ' A' ' 119' ' ' ILE . 21.7 mt -71.39 -38.78 70.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.988 179.227 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -59.97 -51.08 71.18 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 178.923 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.2 tptm -59.02 -42.79 91.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.905 179.012 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.477 ' HA ' ' HG3' ' A' ' 123' ' ' ARG . 39.9 t -56.43 -46.67 80.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.155 179.367 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 89' ' ' ILE . 94.1 mt -60.02 -47.21 92.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.859 178.906 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.413 ' O ' ' HG2' ' A' ' 97' ' ' LYS . 58.1 m -59.34 -29.38 67.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.362 -179.69 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -79.19 -39.51 33.15 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 179.329 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.435 ' NZ ' HG22 ' A' ' 122' ' ' VAL . 3.5 mtpm? -70.76 -37.96 73.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.893 178.85 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.413 ' HG2' ' O ' ' A' ' 94' ' ' SER . 0.3 OUTLIER 61.11 74.09 0.46 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.751 -178.829 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 14.9 m -125.81 176.53 6.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.027 -179.361 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 24.1 mttm -86.28 46.69 1.37 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.305 -179.798 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 67.5 mt -112.06 125.06 69.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.121 179.318 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -138.67 166.99 22.93 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.394 -179.854 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 63.2 tp -102.71 137.46 40.89 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.104 0.478 . . . . 0.0 110.988 178.84 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -94.74 118.25 31.43 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 178.679 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 11.8 mmtp -67.04 -21.69 65.91 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -178.509 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 28.9 p -57.14 -35.84 69.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.776 0.322 . . . . 0.0 111.207 -179.466 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -58.43 174.95 0.27 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.13 0.49 . . . . 0.0 111.938 -179.239 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 2.1 ttp85 -123.1 -58.48 1.64 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.925 -179.748 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 23.6 p80 -76.33 149.03 37.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.824 -179.168 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 72.0 mt -108.51 63.29 0.61 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.293 179.096 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -126.0 124.65 41.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.426 179.606 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 21.6 pt -107.01 158.0 7.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.077 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 11.3 p -69.71 157.6 36.98 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.693 179.681 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -61.91 -28.25 69.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.023 0.439 . . . . 0.0 110.249 179.601 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -57.76 -61.5 2.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.265 -179.928 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 20.6 m170 -66.07 -33.49 75.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.771 -179.28 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 5.1 ttpp -60.67 -54.16 48.62 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.018 0.437 . . . . 0.0 110.891 179.932 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -65.8 -36.86 84.7 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.254 -179.555 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 6.0 tt -66.11 -39.43 89.93 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.66 -179.263 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.406 HG21 HG21 ' A' ' 89' ' ' ILE . 84.9 mt -78.15 -46.86 25.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -178.345 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -59.84 -30.52 69.01 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 -178.347 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 62.4 m -89.74 28.46 1.33 Allowed 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 115.042 1.497 . . . . 0.0 115.042 -175.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.435 HG22 ' NZ ' ' A' ' 96' ' ' LYS . 92.5 t -125.9 -31.63 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.93 178.025 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.477 ' HG3' ' HA ' ' A' ' 92' ' ' SER . 0.0 OUTLIER -87.76 -16.04 35.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.495 178.358 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -117.82 88.08 2.84 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.749 -179.768 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 32.0 mtp85 -152.39 40.55 0.6 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.997 0.427 . . . . 0.0 111.627 179.996 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.46 -29.64 4.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.138 178.266 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.41 96.68 0.06 Allowed 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.055 179.0 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -147.77 -38.43 0.19 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.014 178.768 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 58.98 -89.21 0.02 OUTLIER 'General case' 0 C--O 1.231 0.089 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.006 179.269 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 144.55 -162.5 27.97 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.957 -0.64 . . . . 0.0 111.658 -179.177 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 28.2 t . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.548 -179.788 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 52.9 p . . . . . 0 N--CA 1.483 1.186 0 N-CA-C 111.957 0.354 . . . . 0.0 111.957 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -154.72 65.11 0.66 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.492 0.663 . . . . 0.0 110.624 177.599 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -162.57 -35.33 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.724 -1.125 . . . . 0.0 110.293 179.922 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -83.4 55.97 5.04 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.267 178.65 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -123.41 161.89 23.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.748 0.309 . . . . 0.0 110.525 179.81 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 58.7 mt -112.21 159.67 18.36 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.944 0.402 . . . . 0.0 111.135 -179.892 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 42.7 t -55.18 153.37 6.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.762 179.766 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 98.7 m -116.18 23.27 12.28 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -179.345 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 75.1 mt -118.5 159.68 23.08 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 178.573 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 39.4 mtp180 -127.2 135.42 50.63 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.819 0.342 . . . . 0.0 111.091 -179.657 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 56.4 tt0 -114.28 108.08 16.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.137 179.148 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 60.82 40.41 15.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.491 -179.375 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 84.05 -7.16 72.15 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.826 -0.702 . . . . 0.0 113.121 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.02 131.99 36.27 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.002 0.43 . . . . 0.0 111.217 -179.662 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.82 61.62 5.98 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 115.839 -0.619 . . . . 0.0 112.05 -178.647 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 35.4 t 31.24 -95.81 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 115.415 -0.812 . . . . 0.0 113.114 178.921 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 122.78 -27.12 6.03 Favored Glycine 0 C--N 1.336 0.539 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.635 -179.578 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.417 ' NH2' ' HB2' ' A' ' 113' ' ' ASP . 41.9 ttt180 -69.62 137.01 51.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.759 0.314 . . . . 0.0 110.763 179.806 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.03 143.47 48.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.685 -179.469 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.03 159.3 4.32 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.955 179.063 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -124.8 -114.55 2.05 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 119.925 -1.131 . . . . 0.0 114.062 -178.782 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 20.3 t30 -126.42 15.62 7.69 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -178.156 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -111.22 150.93 28.86 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.041 0.448 . . . . 0.0 111.526 -179.586 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 24.0 p -123.06 149.96 43.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.771 179.695 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -81.29 120.72 25.28 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.962 179.444 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 61.6 p -126.34 -159.04 0.89 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.407 -178.851 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 32.8 mmtt -79.87 -42.96 23.15 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 121.158 0.504 . . . . 0.0 110.823 179.273 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.8 tmm_? -51.98 -46.04 64.69 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.155 -179.538 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 20.1 mt -64.62 -38.15 81.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.92 0.391 . . . . 0.0 110.076 179.317 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.11 -48.27 80.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.515 0.674 . . . . 0.0 109.409 178.59 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.14 -47.55 85.73 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 114.899 -1.046 . . . . 0.0 110.185 179.187 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.415 ' OG ' ' NZ ' ' A' ' 96' ' ' LYS . 1.2 t -56.12 -49.19 74.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.891 179.3 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 96.7 mt -58.97 -46.86 91.31 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.465 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.16 179.039 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 7.7 t -55.64 -37.58 68.4 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.352 -179.363 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 28.8 tp60 -72.93 -27.81 62.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.924 0.392 . . . . 0.0 110.373 179.868 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.431 ' HE3' ' CB ' ' A' ' 122' ' ' VAL . 38.5 mttp -86.06 -41.7 14.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.393 179.274 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 3.9 mmtp 64.77 89.79 0.09 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.833 -178.18 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 15.6 m -137.14 173.12 13.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.301 -179.165 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 6.3 mmtm -87.02 55.78 3.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.481 -179.695 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 64.9 mt -130.24 118.74 44.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.508 179.365 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.8 pm0 -138.57 158.53 44.07 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.06 0.457 . . . . 0.0 110.809 179.752 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.36 123.92 29.54 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.562 -179.572 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -74.46 133.71 42.35 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 178.516 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -85.85 -11.2 53.96 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.265 0.469 . . . . 0.0 112.265 -178.46 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 29.2 t -67.76 -22.53 65.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.667 0.27 . . . . 0.0 111.237 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.96 -159.46 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.748 -179.507 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.19 -59.34 0.49 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.16 -179.897 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 11.0 p80 -87.34 -172.38 3.9 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.516 -179.011 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 84.2 mt -131.95 76.28 1.69 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.811 178.961 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -137.38 110.55 7.82 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.535 -178.969 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 36.1 pt -93.36 170.07 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.998 -179.747 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 15.3 p -85.78 164.79 17.37 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.419 179.572 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.417 ' HB2' ' NH2' ' A' ' 78' ' ' ARG . 0.7 OUTLIER -63.95 -36.73 84.9 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.963 0.411 . . . . 0.0 110.42 179.528 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -50.07 -61.96 1.85 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.329 -179.886 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 10.3 m80 -62.65 -34.67 77.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.548 -179.152 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.421 ' O ' ' HB2' ' A' ' 120' ' ' GLN . 14.8 ttpp -57.65 -52.98 63.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.911 0.386 . . . . 0.0 110.2 179.54 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 31.1 t-20 -66.34 -38.1 86.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.303 -179.603 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 6.3 tt -61.11 -42.66 98.93 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.929 -179.038 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 66.4 mt -87.17 -51.19 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 113.414 0.894 . . . . 0.0 113.414 -177.814 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.421 ' HB2' ' O ' ' A' ' 116' ' ' LYS . 0.7 OUTLIER -58.37 -41.98 85.96 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 -178.037 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 73.5 m -79.91 27.18 0.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 114.76 1.393 . . . . 0.0 114.76 -175.876 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.431 ' CB ' ' HE3' ' A' ' 96' ' ' LYS . 98.7 t -100.26 -23.99 4.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.294 178.3 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 1.1 mtm105 -95.4 -15.41 23.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.076 178.226 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -149.77 94.07 2.13 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.835 179.573 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 12.5 mtp180 -67.26 -172.88 0.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.927 -179.097 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 6.4 ttp180 -88.27 127.79 35.47 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.55 179.258 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 24.4 tttm -150.13 158.96 44.71 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.047 0.451 . . . . 0.0 111.103 179.801 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 10.5 mtp180 -127.97 140.78 51.79 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.151 179.61 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.14 -25.1 29.91 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.973 0.416 . . . . 0.0 110.482 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 156.44 -41.09 0.56 Allowed Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 121.006 -0.616 . . . . 0.0 112.057 -179.934 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 58.6 p . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.256 -0.878 . . . . 0.0 111.006 179.847 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 12.9 t . . . . . 0 N--CA 1.485 1.287 0 CA-C-O 121.268 0.556 . . . . 0.0 111.588 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -102.27 54.57 0.79 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.694 179.818 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -169.19 83.42 0.14 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.323 179.395 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 100.57 64.11 0.79 Allowed Glycine 0 N--CA 1.449 -0.462 0 N-CA-C 110.823 -0.911 . . . . 0.0 110.823 -178.134 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 70.9 mm-40 -54.8 179.76 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.314 0.578 . . . . 0.0 112.077 -178.982 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 65.1 mt -125.96 -179.36 4.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.478 179.747 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.457 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 51.6 t -79.28 135.84 36.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.803 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.438 ' HA ' ' NH1' ' A' ' 75' ' ' ARG . 25.8 m -96.04 19.18 12.02 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 -179.289 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.421 HD11 ' ND1' ' A' ' 115' ' ' HIS . 96.2 mt -100.22 163.66 12.3 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 178.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 22.8 mtp180 -130.21 112.84 13.75 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.804 0.335 . . . . 0.0 111.32 -179.618 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -94.79 89.64 5.76 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.767 179.007 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 63.97 46.95 3.6 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.77 -179.119 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 86.28 -13.83 56.26 Favored Glycine 0 C--N 1.331 0.282 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.964 179.856 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -88.52 123.91 33.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.725 0.263 . . . . 0.0 110.898 -179.813 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.549 ' O ' ' N ' ' A' ' 77' ' ' GLY . 3.5 mmm180 -76.74 57.64 1.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.532 -179.496 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.457 ' HB3' ' HB3' ' A' ' 67' ' ' CYS . 2.9 t 47.27 -71.84 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 179.781 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.549 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 90.87 27.73 18.18 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.948 -0.644 . . . . 0.0 111.674 -179.343 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 59.8 ttt85 -129.71 142.82 50.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.919 0.39 . . . . 0.0 110.945 -179.607 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.07 145.76 29.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.677 -179.613 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.27 164.61 4.1 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.11 179.239 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -119.82 -122.11 2.99 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.125 -1.036 . . . . 0.0 113.992 -178.833 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -120.95 -41.57 2.54 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 -178.201 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.3 167.93 7.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.184 0.516 . . . . 0.0 111.905 -179.067 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 62.9 m -131.22 153.34 49.59 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.466 179.62 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -66.94 138.06 57.0 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 179.295 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 88.6 p -143.93 -169.59 3.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.782 0.325 . . . . 0.0 111.288 -179.243 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -78.9 -48.46 14.58 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.416 178.961 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.6 -38.09 52.94 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.538 -179.669 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.404 ' O ' HG13 ' A' ' 93' ' ' ILE . 51.8 mt -68.72 -35.75 71.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 178.857 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -64.79 -44.77 88.88 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-O 121.541 0.686 . . . . 0.0 109.476 178.502 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.72 -41.52 95.42 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 114.914 -1.039 . . . . 0.0 110.246 179.057 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.508 ' HA ' ' HD2' ' A' ' 123' ' ' ARG . 29.2 t -63.64 -44.92 92.43 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.281 178.981 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.404 HG13 ' O ' ' A' ' 89' ' ' ILE . 95.6 mt -56.92 -49.96 77.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 178.677 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 31.2 t -54.29 -49.63 69.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.184 -179.938 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -49.88 -31.88 13.16 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 121.229 0.538 . . . . 0.0 110.162 179.68 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.0 mmtp -90.53 -35.71 14.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.058 178.858 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 63.17 58.21 1.47 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.569 -179.114 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 17.6 m -105.22 171.18 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.357 -179.398 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 43.6 mttm -84.83 50.05 1.84 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.423 -179.796 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 60.8 mt -128.72 110.11 20.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.916 179.312 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -145.99 151.37 37.67 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.365 179.815 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 50.3 tp -61.65 141.45 57.81 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.203 0.525 . . . . 0.0 111.69 -179.562 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -92.59 141.59 28.32 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.358 -0.978 . . . . 0.0 108.358 178.153 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -83.81 -12.37 55.73 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -178.967 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.7 p -72.46 -16.54 61.81 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 121.03 -0.268 . . . . 0.0 111.085 179.755 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -82.51 175.24 10.36 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 121.053 0.454 . . . . 0.0 111.765 -179.528 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 29.6 mtt180 -124.62 -68.16 0.87 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.088 -179.457 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 24.6 p80 -63.15 -173.3 0.05 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.003 -179.716 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 49.6 mt -144.59 80.01 1.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.189 0.519 . . . . 0.0 110.345 179.129 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -142.62 102.99 4.16 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.875 -179.6 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 36.6 pt -83.92 170.12 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.97 -179.892 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 11.8 p -80.26 172.27 13.99 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.396 179.606 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -73.4 -36.84 66.07 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.062 0.458 . . . . 0.0 110.384 179.52 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 78.1 t80 -52.82 -57.5 9.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.452 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . 0.421 ' ND1' HD11 ' A' ' 69' ' ' LEU . 16.3 m170 -66.84 -38.29 86.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.647 -179.399 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.24 -50.67 68.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.045 0.45 . . . . 0.0 110.538 179.613 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -70.1 -39.87 75.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.832 -179.753 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 8.2 tt -61.19 -38.36 86.27 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.952 -0.567 . . . . 0.0 112.044 -178.972 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 72.3 mt -90.7 -45.54 14.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 113.218 0.821 . . . . 0.0 113.218 -177.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -50.68 -43.75 57.56 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 -178.471 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.59 36.71 0.32 Allowed 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 114.865 1.432 . . . . 0.0 114.865 -175.594 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 98.2 t -117.93 -35.12 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 177.794 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.508 ' HD2' ' HA ' ' A' ' 92' ' ' SER . 76.0 mtp180 -108.63 60.39 0.6 Allowed 'General case' 0 C--O 1.231 0.125 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.461 177.206 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 18.0 t30 -156.55 84.35 0.97 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.665 179.64 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 15.7 mmm-85 -119.25 97.52 5.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.08 -0.509 . . . . 0.0 112.033 -178.64 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 11.0 ttp-105 -139.92 42.47 1.96 Allowed 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 178.574 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.447 ' HA ' ' HA ' ' A' ' 131' ' ' SER . 2.9 tppp? -89.44 123.97 34.06 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.857 -179.273 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.68 -67.55 0.72 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.26 178.425 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt -106.77 -14.83 14.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.158 178.946 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 168.22 56.37 0.03 OUTLIER Glycine 0 C--N 1.336 0.529 0 C-N-CA 121.064 -0.588 . . . . 0.0 112.141 179.934 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 131' ' ' SER . . . . . 0.447 ' HA ' ' HA ' ' A' ' 127' ' ' LYS . 6.6 t . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.768 179.875 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.7 t . . . . . 0 N--CA 1.479 1.014 0 CA-C-O 121.122 0.487 . . . . 0.0 111.489 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -102.46 -27.16 12.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.371 -178.01 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -129.15 70.1 1.41 Allowed 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 178.758 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 143.54 58.93 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.406 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.131 -178.907 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -62.83 -175.68 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.298 0.571 . . . . 0.0 111.721 -179.177 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 87.9 mt -114.15 151.44 32.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.428 179.552 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.405 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 46.5 t -56.51 139.32 49.82 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.803 179.728 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 2.0 m -102.92 27.21 7.27 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 112.219 0.452 . . . . 0.0 112.219 -179.304 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 94.5 mt -113.68 163.06 15.48 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 178.183 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.424 ' HA ' ' O ' ' A' ' 74' ' ' GLU . 31.4 mtp180 -128.66 108.78 10.77 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.886 -0.326 . . . . 0.0 111.433 -179.751 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -99.24 106.43 18.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.057 179.183 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 66.47 42.04 3.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.846 -179.161 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 78.52 -6.65 51.94 Favored Glycine 0 CA--C 1.52 0.346 0 C-N-CA 120.956 -0.64 . . . . 0.0 113.412 179.624 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.424 ' O ' ' HA ' ' A' ' 70' ' ' ARG . 5.5 mm-40 -96.05 135.29 38.02 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 117.095 0.448 . . . . 0.0 111.022 -179.628 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.536 ' O ' ' N ' ' A' ' 77' ' ' GLY . 15.5 mmm-85 -82.39 54.84 2.71 Favored 'General case' 0 C--O 1.225 -0.207 0 C-N-CA 120.841 -0.344 . . . . 0.0 111.405 -179.339 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.405 ' HB3' ' HB3' ' A' ' 67' ' ' CYS . 0.5 OUTLIER 49.03 -64.23 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 179.539 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.536 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 90.87 -13.68 65.32 Favored Glycine 0 N--CA 1.449 -0.466 0 N-CA-C 111.336 -0.706 . . . . 0.0 111.336 -178.388 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 20.5 ttt180 -84.71 163.19 19.34 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 120.72 0.295 . . . . 0.0 110.361 179.769 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -83.2 152.12 25.36 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.595 -179.437 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.81 153.59 41.84 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.004 178.939 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -114.99 -131.38 5.04 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.203 -0.999 . . . . 0.0 114.109 -178.547 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -104.32 -29.26 10.88 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -178.177 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.444 ' HB1' ' CD ' ' A' ' 116' ' ' LYS . . . -62.95 172.85 1.56 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.098 0.475 . . . . 0.0 111.747 -179.395 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.7 m -146.22 138.67 25.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.859 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -59.55 126.5 27.88 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 178.924 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 86.6 p -130.76 -171.73 2.64 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.075 0.464 . . . . 0.0 111.526 -179.161 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 46.4 mttp -77.69 -46.82 20.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.964 178.991 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.9 -34.45 54.94 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.118 179.279 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.402 HG22 HG22 ' A' ' 119' ' ' ILE . 19.2 mt -71.59 -45.32 68.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 178.955 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -55.64 -47.73 76.14 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 178.093 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 15.4 mmtm -60.35 -47.29 86.7 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 114.316 -1.311 . . . . 0.0 110.073 178.398 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 13.9 t -54.29 -39.66 67.16 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.487 179.738 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 74.9 mt -76.21 -35.98 29.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.098 179.202 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 26.0 t -54.41 -44.22 72.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.212 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 35.9 tp60 -71.17 -6.76 41.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.074 179.655 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.2 mmmm -106.76 -56.57 2.18 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 121.031 0.443 . . . . 0.0 110.49 179.223 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 75.53 71.52 0.09 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.576 -178.9 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 18.1 m -118.37 174.28 4.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.523 -179.123 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -77.75 61.14 2.37 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.155 -179.628 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 82.6 mt -138.93 106.88 3.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.231 179.269 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -132.62 144.36 50.3 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.647 -179.919 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.2 tp -68.59 134.3 49.77 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.728 -179.534 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -74.02 134.32 43.02 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 177.881 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 24.3 mtmm -86.38 -29.88 22.58 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.984 -0.286 . . . . 0.0 111.674 -178.827 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 14.5 p -71.07 -6.8 41.88 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.642 179.769 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -65.47 176.41 1.45 Allowed 'General case' 0 C--O 1.23 0.077 0 CA-C-O 121.162 0.505 . . . . 0.0 111.841 -179.541 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -127.44 -40.0 1.82 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.286 179.951 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 9.1 p80 -105.99 161.46 14.45 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.98 -0.555 . . . . 0.0 112.154 -178.237 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 73.9 mt -118.54 70.28 0.81 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.294 179.241 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -139.94 106.45 5.32 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.373 -179.703 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 25.6 pt -83.27 179.21 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.826 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 7.7 p -92.44 174.18 7.41 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.247 179.407 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -69.61 -32.43 71.15 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.105 0.479 . . . . 0.0 110.421 179.739 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -55.23 -62.2 1.82 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.68 -179.641 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 24.5 m80 -64.76 -34.87 79.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.452 -179.321 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.444 ' CD ' ' HB1' ' A' ' 83' ' ' ALA . 10.8 ttpp -57.7 -52.93 63.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.918 0.39 . . . . 0.0 110.375 179.78 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -68.74 -35.92 77.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.294 -179.439 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 3.3 tt -65.87 -40.94 92.12 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.695 -179.172 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.402 HG22 HG22 ' A' ' 89' ' ' ILE . 73.7 mt -85.57 -40.62 14.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 -177.966 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.408 ' HB2' ' O ' ' A' ' 116' ' ' LYS . 5.3 mt-30 -62.27 -37.59 86.07 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -178.601 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.42 ' HA ' ' O ' ' A' ' 124' ' ' ASN . 69.5 m -73.92 16.82 0.2 Allowed 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 115.21 1.559 . . . . 0.0 115.21 -176.035 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 92.5 t -99.39 -23.5 4.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 118.456 0.571 . . . . 0.0 110.55 178.699 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 5.3 mtp180 -121.8 -4.07 9.18 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.149 178.151 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . 0.42 ' O ' ' HA ' ' A' ' 121' ' ' SER . 0.3 OUTLIER -143.19 122.96 13.38 Favored 'General case' 0 C--O 1.227 -0.127 0 N-CA-C 110.526 -0.175 . . . . 0.0 110.526 179.98 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 22.1 mtp-105 -139.69 133.57 30.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.187 0.517 . . . . 0.0 112.013 -179.748 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -144.36 -76.48 0.23 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.941 179.364 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.56 125.24 40.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.951 179.637 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.88 -85.34 0.64 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.852 178.856 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 8.0 mtmm -124.5 -40.63 2.21 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.01 178.912 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -174.2 118.02 0.66 Allowed Glycine 0 N--CA 1.451 -0.335 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.994 179.473 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 33.0 m . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.255 -0.879 . . . . 0.0 111.032 -179.821 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.477 0.909 0 CA-C-O 119.811 -0.138 . . . . 0.0 111.257 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.485 ' HA ' ' NE2' ' A' ' 65' ' ' GLN . 5.2 m-80 -98.81 20.61 12.79 Favored 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 120.085 -0.646 . . . . 0.0 111.616 179.268 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -128.18 141.0 51.6 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 177.791 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 61.4 65.07 3.49 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 119.643 -1.265 . . . . 0.0 110.559 -178.036 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.485 ' NE2' ' HA ' ' A' ' 62' ' ' ASN . 17.4 mm-40 -90.64 179.62 5.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.183 0.516 . . . . 0.0 112.02 -178.553 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 70.3 mt -107.64 163.2 13.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.474 179.277 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.46 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 48.5 t -61.67 145.34 52.59 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.96 179.836 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 34.0 m -106.63 29.2 7.14 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -179.334 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 84.1 mt -119.55 170.94 8.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.746 0.308 . . . . 0.0 110.27 178.428 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.437 ' HG2' ' HD2' ' A' ' 75' ' ' ARG . 12.0 mtp180 -135.8 111.54 9.38 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.218 -179.764 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 54.8 tt0 -91.89 107.73 19.42 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 178.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 60.49 21.17 10.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.685 -179.197 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 106.21 -14.75 43.77 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.706 -0.759 . . . . 0.0 113.294 179.503 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -88.1 137.89 31.93 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.267 0.555 . . . . 0.0 111.947 -179.363 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.498 ' O ' ' N ' ' A' ' 77' ' ' GLY . 43.6 mmm-85 -80.38 61.75 4.26 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.195 -0.911 . . . . 0.0 111.952 -178.9 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.46 ' HB3' ' HB3' ' A' ' 67' ' ' CYS . 2.8 t 34.9 -82.96 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 178.763 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 115.81 -14.97 16.89 Favored Glycine 0 C--N 1.336 0.542 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.494 -179.156 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -88.43 159.2 18.11 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.718 0.294 . . . . 0.0 110.64 179.924 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.3 153.84 42.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.977 0.418 . . . . 0.0 111.923 -179.605 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -85.92 137.26 32.86 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.043 179.001 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -104.55 -153.63 22.6 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.482 -0.866 . . . . 0.0 113.956 -178.64 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -78.93 -4.6 50.64 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -178.966 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -81.03 151.11 28.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.973 0.416 . . . . 0.0 111.639 -179.448 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.6 m -127.11 151.49 48.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.521 179.675 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -78.35 141.67 38.25 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 178.989 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 16.1 p -149.28 -174.87 4.78 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.036 0.446 . . . . 0.0 111.857 -178.967 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.5 mmtm -71.07 -42.4 69.46 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.27 179.555 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -54.67 -45.35 73.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.179 179.181 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.411 ' O ' HG13 ' A' ' 93' ' ' ILE . 44.7 mt -64.67 -37.61 80.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.925 179.225 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -60.62 -51.69 68.32 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-O 121.735 0.779 . . . . 0.0 109.065 178.353 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.1 mmpp? -58.39 -43.98 88.74 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 114.417 -1.265 . . . . 0.0 109.981 178.705 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 43.9 t -58.89 -39.72 82.31 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.439 179.378 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.411 HG13 ' O ' ' A' ' 89' ' ' ILE . 61.6 mt -73.13 -36.57 50.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.077 0.465 . . . . 0.0 110.153 179.197 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 36.5 t -57.44 -43.31 83.81 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.975 179.941 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 -58.64 -44.38 90.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.993 0.425 . . . . 0.0 110.07 179.566 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.415 ' HE3' HG21 ' A' ' 122' ' ' VAL . 43.6 mttp -70.19 -34.74 73.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.119 179.077 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 46.2 tptt 59.57 56.74 3.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.338 -178.764 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 31.5 m -105.53 174.55 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.592 -179.212 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -87.02 62.65 7.5 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.358 -179.699 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 77.2 mt -137.15 115.34 14.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.279 179.308 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -137.1 162.94 32.02 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.765 -179.872 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 19.5 tp -81.13 143.24 32.54 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.308 0.575 . . . . 0.0 111.492 -179.896 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -95.84 139.0 32.69 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 177.294 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -89.34 -3.24 58.55 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -178.726 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 59.5 p -76.62 -35.1 58.27 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.805 0.336 . . . . 0.0 111.24 -179.759 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -48.05 150.57 1.14 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.048 0.452 . . . . 0.0 111.875 -179.271 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -92.58 -23.3 19.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.053 179.711 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 13.0 p80 -130.17 -171.53 2.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.146 -179.288 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 85.9 mt -131.67 88.63 2.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.519 179.191 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -147.25 127.47 13.84 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.419 179.617 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 38.0 pt -105.91 170.73 2.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.86 179.914 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 23.0 p -86.93 168.56 13.27 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.511 179.61 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -69.28 -29.48 67.37 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.078 0.466 . . . . 0.0 110.364 179.592 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -55.53 -61.6 2.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.399 -179.941 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 22.8 m80 -63.88 -40.01 95.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.698 -179.418 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 18.2 ttpp -52.31 -53.71 40.84 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.038 0.447 . . . . 0.0 110.7 -179.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -63.75 -42.95 97.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.979 -179.833 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.406 ' O ' ' CG2' ' A' ' 122' ' ' VAL . 3.7 tt -58.86 -42.5 89.55 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.726 -179.401 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 61.6 mt -82.81 -48.55 17.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 113.256 0.836 . . . . 0.0 113.256 -178.036 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.71 -33.87 75.75 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 -178.012 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 61.0 m -96.9 36.22 1.44 Allowed 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 115.106 1.521 . . . . 0.0 115.106 -176.252 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.415 HG21 ' HE3' ' A' ' 96' ' ' LYS . 77.0 t -115.08 -22.8 4.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 C-N-CA 120.46 -0.496 . . . . 0.0 110.412 177.583 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 31.2 mtp180 -105.86 50.31 0.78 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.103 0.478 . . . . 0.0 109.915 178.379 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 19.6 t30 -155.96 121.65 4.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.952 179.944 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . 0.439 ' HB2' ' CZ ' ' A' ' 125' ' ' ARG . 0.1 OUTLIER -172.17 -157.24 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.807 -178.348 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 -106.73 -24.25 12.16 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-O 120.749 0.309 . . . . 0.0 110.555 178.332 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 23.0 ttpp -85.87 165.5 16.76 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.224 0.535 . . . . 0.0 111.48 -179.447 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.23 -155.55 0.6 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.165 179.811 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 25.3 mtmt -118.42 -61.51 1.66 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.006 0.431 . . . . 0.0 110.733 178.587 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 176.27 144.04 4.98 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 121.011 -0.614 . . . . 0.0 111.977 -179.928 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 42.8 m . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.149 -0.929 . . . . 0.0 110.997 -179.991 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.2 t . . . . . 0 N--CA 1.481 1.078 0 CA-C-O 119.847 -0.121 . . . . 0.0 111.275 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 45.53 33.18 1.29 Allowed 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.231 0.539 . . . . 0.0 110.251 -178.586 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -100.87 21.99 12.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.282 178.997 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -107.6 54.36 0.57 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.004 -179.944 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -85.29 -175.19 5.6 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.919 0.39 . . . . 0.0 110.767 -179.941 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -114.53 166.12 12.04 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.596 179.462 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 49.4 t -55.75 138.05 48.53 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.34 -0.846 . . . . 0.0 111.431 -179.7 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 22.4 p -102.1 24.61 9.86 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.938 0.399 . . . . 0.0 111.144 179.846 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 32.3 mt -126.08 159.7 32.1 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 179.326 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.443 ' HG2' ' HD3' ' A' ' 75' ' ' ARG . 8.2 mtp-105 -130.44 109.47 10.74 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.163 -179.779 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -90.49 120.13 31.33 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 179.07 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 57.57 32.67 22.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.51 -179.074 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 84.24 -2.76 87.44 Favored Glycine 0 CA--C 1.52 0.345 0 C-N-CA 120.99 -0.624 . . . . 0.0 113.292 179.516 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -99.79 135.29 41.44 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 117.131 0.465 . . . . 0.0 111.207 -179.806 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.495 ' O ' ' N ' ' A' ' 77' ' ' GLY . 1.7 tpp85 -74.72 58.02 0.79 Allowed 'General case' 0 N--CA 1.462 0.13 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.71 -179.197 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 7.4 t 46.54 -79.39 0.0 OUTLIER 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 179.571 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 117.85 -28.02 7.22 Favored Glycine 0 C--N 1.331 0.301 0 C-N-CA 120.954 -0.641 . . . . 0.0 111.525 -179.068 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 27.6 ttt180 -86.4 132.48 33.94 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 179.149 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.27 164.5 0.45 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.934 0.397 . . . . 0.0 111.708 -178.833 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.4 165.18 25.07 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.507 -179.682 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -129.76 -149.82 6.84 Favored Glycine 0 C--N 1.334 0.454 0 C-N-CA 120.481 -0.866 . . . . 0.0 113.681 -179.244 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -83.56 -40.81 18.64 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -178.686 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -55.13 161.87 1.58 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.1 0.476 . . . . 0.0 111.661 -179.245 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -127.53 171.22 11.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.236 179.608 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -95.11 108.33 20.43 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 178.845 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 38.4 p -112.38 -170.14 1.61 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.688 -178.594 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.4 -45.87 24.51 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.433 179.744 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.78 -45.0 66.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.248 179.392 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 76.8 mt -62.86 -34.5 66.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 179.105 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -68.45 -52.33 33.77 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-O 121.613 0.72 . . . . 0.0 109.376 178.74 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.33 -41.77 63.27 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 114.758 -1.11 . . . . 0.0 110.083 179.135 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.419 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 36.6 m -61.6 -52.57 63.84 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 178.746 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 97.3 mt -53.33 -35.39 24.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.11 179.053 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 50.8 m -69.3 -35.87 76.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.135 -179.722 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.405 ' HA ' ' NE2' ' A' ' 95' ' ' GLN . 7.3 tp-100 -77.51 -46.12 23.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.227 179.416 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.466 ' HE2' ' CG2' ' A' ' 122' ' ' VAL . 3.4 mtpm? -63.15 -37.99 89.41 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 121.209 0.528 . . . . 0.0 109.643 178.723 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? 66.73 80.2 0.22 Allowed 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.674 -179.187 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 27.0 m -134.34 157.23 41.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.147 -179.089 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.3 mmmm -76.94 58.13 1.44 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.208 -179.807 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 53.8 mt -131.29 108.95 15.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.139 179.428 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -130.53 168.69 16.64 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.659 -179.833 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 36.7 tp -82.14 132.04 35.24 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.199 0.523 . . . . 0.0 110.852 179.544 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 59.6 t0 -91.52 126.15 36.51 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 179.487 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 46.3 mttp -74.85 -17.37 60.61 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -178.588 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.15 -28.22 66.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.923 0.392 . . . . 0.0 110.487 179.653 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -68.23 139.98 56.04 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.521 -179.625 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -101.89 39.68 1.43 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.588 -179.945 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 26.4 p80 -177.91 -179.21 0.74 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.638 -179.574 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 91.4 mt -129.45 92.34 3.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.341 179.301 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -153.05 126.38 8.63 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.534 179.762 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 41.6 pt -108.7 164.5 5.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.765 179.847 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 8.3 p -80.55 166.43 21.16 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.523 179.528 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -68.39 -34.12 75.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.092 0.473 . . . . 0.0 110.378 179.929 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -52.73 -54.9 27.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.314 179.921 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 14.1 m170 -69.07 -37.28 78.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.727 -179.44 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 5.9 ttpp -55.21 -51.25 67.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.046 0.45 . . . . 0.0 110.552 179.592 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -71.81 -34.1 69.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.188 -179.751 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 6.7 tt -68.04 -31.06 70.46 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.606 -179.301 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 77.9 mt -93.57 -45.79 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 -178.019 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -67.21 -41.22 86.17 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 -178.072 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 12.8 m -78.6 16.36 0.85 Allowed 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 114.923 1.453 . . . . 0.0 114.923 -175.462 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.466 ' CG2' ' HE2' ' A' ' 96' ' ' LYS . 79.6 t -94.59 -25.57 4.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 C-N-CA 120.364 -0.534 . . . . 0.0 109.974 178.155 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 30.2 mtp180 -120.62 20.65 11.73 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.348 177.463 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -169.78 74.71 0.08 Allowed 'General case' 0 C--O 1.231 0.099 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.399 -179.816 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 8.8 mtm-85 -78.26 -26.14 47.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.842 0.353 . . . . 0.0 111.141 -179.616 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -147.43 -170.84 3.66 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.105 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 63.25 87.24 0.11 Allowed 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 178.544 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 3.0 ttm-85 -138.61 -35.55 0.59 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.107 177.811 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 8.1 mtmm 63.74 -98.63 0.07 Allowed 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.592 178.858 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 153.46 -61.79 0.38 Allowed Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 -178.481 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.9 m . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.29 -0.862 . . . . 0.0 110.431 179.017 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.482 1.133 0 CA-C-O 120.926 0.393 . . . . 0.0 111.631 . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -129.1 90.73 3.07 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.057 178.176 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -152.05 18.2 0.67 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.01 179.363 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -105.82 36.66 4.25 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.747 -0.74 . . . . 0.0 111.893 -179.845 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -75.67 174.82 9.27 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.885 0.374 . . . . 0.0 110.989 -179.634 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 45.5 mt -107.05 149.82 27.17 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.828 -179.842 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.443 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 12.9 t -48.05 127.23 12.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.691 179.595 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 35.9 m -90.7 32.42 0.98 Allowed 'General case' 0 N--CA 1.462 0.142 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -178.9 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 82.6 mt -112.65 163.11 14.93 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 178.349 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 29.3 mtp180 -130.9 143.83 51.02 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.8 0.333 . . . . 0.0 111.033 -179.702 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -125.33 109.32 12.64 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.34 179.26 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 58.73 43.38 18.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.51 -179.524 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 74.65 0.19 58.17 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.862 -0.685 . . . . 0.0 113.036 -179.852 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -113.01 127.1 56.14 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 121.008 0.432 . . . . 0.0 111.218 -179.752 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.69 159.23 3.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.801 -179.28 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.443 ' HB3' ' HB3' ' A' ' 67' ' ' CYS . 25.9 t -70.89 -54.57 10.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.078 179.098 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 92.43 -32.06 5.72 Favored Glycine 0 C--N 1.33 0.247 0 C-N-CA 120.791 -0.718 . . . . 0.0 113.103 179.23 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.433 ' HD3' ' HB2' ' A' ' 112' ' ' CYS . 34.3 ttt-85 -68.33 144.26 54.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.842 0.353 . . . . 0.0 110.621 -179.812 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.84 155.83 7.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.647 -179.568 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.94 152.59 40.07 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.196 179.281 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -108.61 -147.44 12.58 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.427 -0.892 . . . . 0.0 113.773 -178.881 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -105.88 7.1 32.06 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -178.892 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -97.83 178.58 5.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.097 0.475 . . . . 0.0 111.423 -179.537 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.8 p -138.22 159.59 41.64 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.653 179.891 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.477 ' CD2' HD12 ' A' ' 102' ' ' LEU . 76.7 t80 -95.33 123.63 38.95 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.343 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 88.6 p -128.05 -158.86 0.9 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.509 -178.603 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.0 -41.61 25.49 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.422 0.629 . . . . 0.0 110.614 179.361 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.1 ttm-85 -52.32 -49.72 63.68 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.51 -179.109 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 95.3 mt -63.92 -35.9 74.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.67 179.913 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.7 -44.86 92.42 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 178.821 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -62.05 -52.54 63.51 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.785 178.688 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.413 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 8.4 t -52.1 -43.42 63.91 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.024 179.533 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.432 HG22 ' CG2' ' A' ' 98' ' ' VAL . 70.6 mt -60.98 -49.29 85.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.208 179.0 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.7 t -54.97 -48.07 73.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.179 -179.491 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.438 ' HG3' ' NH1' ' A' ' 123' ' ' ARG . 0.0 OUTLIER -64.96 -37.9 89.19 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.033 0.444 . . . . 0.0 109.928 179.635 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.413 ' HG3' ' O ' ' A' ' 92' ' ' SER . 13.9 mtpp -68.96 -28.58 66.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.012 178.668 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.59 76.53 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.822 -179.161 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.432 ' CG2' HG22 ' A' ' 93' ' ' ILE . 29.0 m -135.53 162.82 36.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.1 -179.451 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 32.4 mttp -90.28 71.27 7.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.567 -179.587 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 34.3 mt -138.07 98.84 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.02 0.438 . . . . 0.0 110.311 178.989 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -109.11 160.99 15.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.693 -179.915 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.477 HD12 ' CD2' ' A' ' 85' ' ' PHE . 1.3 tp -78.16 133.11 37.85 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.134 0.492 . . . . 0.0 111.607 -179.786 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -67.84 133.47 49.24 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 177.527 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 9.8 mtmt -101.8 -10.11 20.2 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -178.586 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.7 t -92.82 20.92 6.04 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.699 0.285 . . . . 0.0 110.643 179.586 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -106.93 -169.28 1.52 Allowed 'General case' 0 C--O 1.231 0.106 0 CA-C-O 120.949 0.404 . . . . 0.0 111.578 -179.426 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 15.7 mtp85 -126.53 -70.41 0.73 Allowed 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.238 -179.61 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 29.1 p80 -75.14 -172.01 1.56 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.44 -179.005 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 62.2 mt -138.6 81.18 1.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.863 179.134 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -138.45 115.57 10.97 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.858 -179.548 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 32.9 pt -99.25 166.1 2.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.028 -179.701 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . 0.433 ' HB2' ' HD3' ' A' ' 78' ' ' ARG . 9.5 p -73.32 164.62 26.42 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.765 179.755 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.46 ' N ' ' OD1' ' A' ' 113' ' ' ASP . 0.4 OUTLIER -65.93 -39.52 90.6 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.279 0.561 . . . . 0.0 110.028 179.735 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -50.0 -56.35 11.04 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.171 -0.922 . . . . 0.0 111.449 -179.899 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 5.8 m170 -69.68 -29.17 66.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.679 -179.364 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.435 ' O ' ' HB2' ' A' ' 120' ' ' GLN . 13.0 ttpp -62.95 -54.55 36.64 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.462 179.78 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.53 -42.71 78.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.996 -179.6 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.434 ' O ' ' CG2' ' A' ' 122' ' ' VAL . 5.4 tt -58.75 -47.8 83.42 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.171 -179.0 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 79.1 mt -80.16 -39.73 19.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 113.55 0.945 . . . . 0.0 113.55 -177.8 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.435 ' HB2' ' O ' ' A' ' 116' ' ' LYS . 39.7 mt-30 -70.33 -40.83 73.92 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 -178.349 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 2.7 t -100.23 46.94 0.94 Allowed 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 115.013 1.486 . . . . 0.0 115.013 -174.856 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.434 ' CG2' ' O ' ' A' ' 118' ' ' LEU . 55.0 t -112.47 -25.5 3.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.792 -0.448 . . . . 0.0 109.792 177.007 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.438 ' NH1' ' HG3' ' A' ' 95' ' ' GLN . 7.9 mtm180 -112.93 -20.88 11.4 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.13 178.283 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . 0.443 ' ND2' ' HD2' ' A' ' 127' ' ' LYS . 61.5 t30 60.11 87.94 0.08 Allowed 'General case' 0 N--CA 1.456 -0.136 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.279 179.848 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 2.5 mtt-85 -122.41 41.49 3.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 112.003 -178.918 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.72 -46.94 0.74 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.509 178.588 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.443 ' HD2' ' ND2' ' A' ' 124' ' ' ASN . 0.2 OUTLIER 47.25 -171.56 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.472 178.942 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 9.8 tpp180 -119.12 79.28 1.38 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.205 177.872 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -82.37 -66.29 0.91 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.093 -179.032 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 177.76 122.17 0.73 Allowed Glycine 0 N--CA 1.445 -0.761 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.769 -179.878 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.282 -0.866 . . . . 0.0 110.57 -179.893 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 64.4 m . . . . . 0 N--CA 1.479 1.016 0 N-CA-C 111.609 0.226 . . . . 0.0 111.609 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 49.5 t30 52.46 25.75 3.76 Favored 'General case' 0 C--N 1.34 0.179 0 CA-C-N 118.44 0.564 . . . . 0.0 109.942 -176.812 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -146.68 1.15 0.79 Allowed 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.325 178.442 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -96.22 66.52 1.06 Allowed Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.828 -0.701 . . . . 0.0 111.685 -179.693 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -83.51 -174.77 5.48 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.841 0.353 . . . . 0.0 110.504 -179.906 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.408 HD12 ' HA ' ' A' ' 79' ' ' ALA . 1.7 mp -139.01 138.58 37.36 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.305 0.574 . . . . 0.0 112.018 179.66 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 38.4 t -43.77 146.36 0.57 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 114.962 -1.017 . . . . 0.0 111.408 -179.821 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 17.7 p -106.84 20.52 18.91 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.384 179.887 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 94.6 mt -106.09 163.19 12.97 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 178.824 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 54.0 mtt-85 -127.9 120.16 27.11 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.249 -179.55 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 64.0 tt0 -103.49 117.59 34.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.087 178.958 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 55.46 38.15 29.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.774 -179.413 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 79.84 -6.97 57.3 Favored Glycine 0 CA--C 1.52 0.352 0 C-N-CA 120.866 -0.683 . . . . 0.0 113.217 179.671 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.401 ' O ' ' N ' ' A' ' 76' ' ' CYS . 70.5 mm-40 -93.72 127.16 39.29 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 117.088 0.444 . . . . 0.0 111.093 -179.71 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.9 tpp85 -65.61 64.89 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.8 -0.636 . . . . 0.0 112.451 -178.791 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.401 ' N ' ' O ' ' A' ' 74' ' ' GLU . 10.5 t 36.66 -92.31 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 178.61 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 121.02 -33.93 4.21 Favored Glycine 0 C--N 1.334 0.441 0 C-N-CA 120.39 -0.91 . . . . 0.0 112.539 -179.552 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 46.7 ttt180 -73.92 152.11 40.23 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 179.269 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.408 ' HA ' HD12 ' A' ' 66' ' ' LEU . . . -73.01 160.11 32.6 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.927 0.394 . . . . 0.0 111.648 -178.78 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.27 166.32 21.82 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.606 -179.559 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -122.71 -125.9 3.12 Favored Glycine 0 CA--C 1.52 0.368 0 C-N-CA 120.484 -0.865 . . . . 0.0 113.696 -179.099 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -117.09 -4.96 11.42 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 112.68 0.622 . . . . 0.0 112.68 -178.295 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -94.62 168.2 10.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.101 0.477 . . . . 0.0 111.774 -179.395 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -131.65 170.53 14.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.26 179.667 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -90.54 133.93 34.73 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 179.222 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 60.2 p -137.92 -163.74 1.5 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.985 0.421 . . . . 0.0 111.175 -179.196 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.6 mmtm -80.25 -49.24 11.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.758 178.617 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -51.54 -41.67 61.23 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.789 -179.337 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.417 ' O ' HG13 ' A' ' 93' ' ' ILE . 55.4 mt -65.87 -44.31 92.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.151 179.436 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 16.4 tm0? -55.54 -51.45 67.02 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.076 0.465 . . . . 0.0 109.968 179.052 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.3 tmtp? -62.81 -42.5 99.74 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.693 179.325 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.407 ' OG ' ' NZ ' ' A' ' 96' ' ' LYS . 29.1 t -57.59 -32.67 67.41 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.053 178.854 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.417 HG13 ' O ' ' A' ' 89' ' ' ILE . 96.7 mt -75.64 -46.53 36.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.945 179.014 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.404 ' O ' ' HG3' ' A' ' 97' ' ' LYS . 25.8 t -54.07 -46.48 71.99 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.183 -179.89 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 37.1 tp60 -63.82 -28.06 69.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.977 0.418 . . . . 0.0 110.058 179.678 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.407 ' NZ ' ' OG ' ' A' ' 92' ' ' SER . 35.3 mttp -80.25 -43.39 21.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.34 179.059 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.404 ' HG3' ' O ' ' A' ' 94' ' ' SER . 8.6 mttp 71.21 85.11 0.13 Allowed 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.53 -178.568 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 22.0 m -142.03 159.52 20.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.093 -179.259 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 51.7 mttm -79.95 55.12 2.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.438 -179.617 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 73.3 mt -119.12 103.36 14.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.198 -0.455 . . . . 0.0 109.893 179.354 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -118.82 163.78 16.38 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.842 -179.835 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 19.7 tp -92.01 136.53 33.09 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.077 -179.886 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 58.6 t0 -87.22 121.78 30.12 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 179.204 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 3.5 mtmm -82.27 -11.54 58.58 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -178.641 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.3 m -84.0 4.86 27.99 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.65 0.262 . . . . 0.0 110.848 178.917 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -69.27 178.38 2.39 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-O 121.354 0.597 . . . . 0.0 112.086 -179.042 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -122.0 -5.89 8.99 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.113 -0.949 . . . . 0.0 111.289 -179.788 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 20.3 p80 -154.55 -172.19 4.11 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 120.714 0.292 . . . . 0.0 110.296 -179.707 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 35.5 mt -135.84 80.47 1.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.266 0.555 . . . . 0.0 109.907 178.787 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -137.8 133.25 33.79 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.545 -179.154 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 32.2 pt -115.97 141.84 31.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.081 -179.686 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 5.8 p -61.64 152.46 30.69 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.433 179.522 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -56.08 -29.93 61.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.077 0.465 . . . . 0.0 110.254 179.797 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -55.56 -61.26 2.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.36 -179.935 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 22.2 m170 -66.53 -39.75 88.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.793 -179.383 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 5.3 ttpp -55.31 -53.09 60.52 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.01 0.433 . . . . 0.0 110.534 179.803 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 34.5 t-20 -66.17 -42.94 88.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.995 -179.63 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 5.0 tt -57.22 -37.37 72.13 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.808 -179.309 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 59.5 mt -89.52 -40.75 13.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 -177.687 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -66.23 -43.51 86.41 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 113.524 0.935 . . . . 0.0 113.524 -178.151 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 77.0 p -75.49 9.98 1.91 Allowed 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 114.592 1.33 . . . . 0.0 114.592 -175.808 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.402 ' CG2' ' HE3' ' A' ' 96' ' ' LYS . 85.6 t -97.37 119.88 45.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 C-N-CA 120.491 -0.484 . . . . 0.0 110.289 178.541 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 76.3 mtp85 53.29 37.89 26.39 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-O 121.119 0.485 . . . . 0.0 111.672 -179.054 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -154.31 14.34 0.44 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.677 179.033 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 11.7 mtp85 -89.48 39.06 0.93 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.826 0.346 . . . . 0.0 111.837 -178.688 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -116.9 89.41 3.11 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.605 -0.516 . . . . 0.0 109.605 179.332 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 16.7 ttmm -148.01 93.09 2.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.065 0.46 . . . . 0.0 111.695 -179.534 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -132.46 136.9 47.02 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.332 178.475 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -129.16 -82.5 0.57 Allowed 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.673 -0.411 . . . . 0.0 112.09 -178.968 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 117.11 -129.56 8.43 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.759 -0.734 . . . . 0.0 111.96 -178.433 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.182 -0.913 . . . . 0.0 111.027 179.944 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.403 ' OG ' ' N ' ' A' ' 62' ' ' ASN . 9.6 t . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 119.598 -0.239 . . . . 0.0 111.419 . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.403 ' N ' ' OG ' ' A' ' 61' ' ' SER . 0.1 OUTLIER -159.5 20.41 0.18 Allowed 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 118.489 0.586 . . . . 0.0 112.103 -179.831 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -154.27 18.2 0.49 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.774 178.796 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -138.85 48.18 0.88 Allowed Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 121.014 -0.612 . . . . 0.0 111.682 -179.515 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -94.74 177.1 6.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.772 0.32 . . . . 0.0 110.498 -179.919 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 82.2 mt -116.41 173.75 6.43 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.03 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 18.5 t -74.16 144.57 44.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.524 179.606 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 31.4 p -107.8 37.24 2.49 Favored 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -179.229 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 46.5 mt -125.79 155.48 41.01 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 178.672 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.423 ' HG2' ' HD2' ' A' ' 75' ' ' ARG . 14.2 mtp180 -125.31 120.16 30.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.895 0.379 . . . . 0.0 111.225 -179.78 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -101.68 109.64 21.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.039 179.158 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 54.24 30.28 12.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.615 -179.232 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 95.81 -9.21 68.42 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.844 -0.694 . . . . 0.0 113.228 179.687 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -85.21 125.47 32.88 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 117.038 0.419 . . . . 0.0 111.293 -179.536 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.423 ' HD2' ' HG2' ' A' ' 70' ' ' ARG . 12.3 mmm180 -80.83 60.33 4.04 Favored 'General case' 0 CA--C 1.528 0.133 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.646 -179.33 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 7.6 t 31.89 -87.61 0.0 OUTLIER 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 179.224 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 113.75 -20.61 17.47 Favored Glycine 0 C--N 1.335 0.516 0 C-N-CA 120.51 -0.852 . . . . 0.0 112.737 -179.455 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 59.9 ttt85 -80.16 143.88 33.48 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.824 0.345 . . . . 0.0 110.537 179.849 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.65 154.07 18.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.824 -179.419 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.85 146.07 46.48 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.083 179.053 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -108.73 -126.54 5.38 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.326 -0.94 . . . . 0.0 114.005 -178.625 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -117.01 12.14 14.5 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -178.183 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.416 ' HB3' ' HD3' ' A' ' 116' ' ' LYS . . . -106.51 136.82 45.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.053 0.454 . . . . 0.0 111.698 -179.422 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 38.8 p -107.83 150.55 26.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.443 179.456 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -75.67 122.47 24.02 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 179.043 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 77.0 p -128.85 -168.72 1.96 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.065 0.46 . . . . 0.0 111.425 -179.25 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.6 mtpm? -78.22 -40.94 35.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.898 179.007 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.04 -37.37 69.15 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.337 179.566 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.405 ' O ' HG13 ' A' ' 93' ' ' ILE . 16.2 mt -71.03 -35.11 57.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 178.604 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -63.11 -44.17 96.38 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.207 0.527 . . . . 0.0 109.681 179.032 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.1 tmtm? -65.58 -43.15 90.64 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.846 179.051 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.431 ' HB2' ' NH2' ' A' ' 123' ' ' ARG . 31.2 t -57.98 -43.14 86.35 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.054 178.967 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 89' ' ' ILE . 96.7 mt -64.43 -45.82 94.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.917 179.119 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 13.7 t -55.13 -44.45 75.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.008 179.898 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -63.14 -19.87 64.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.773 179.377 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.434 ' CE ' HG21 ' A' ' 122' ' ' VAL . 3.9 mtpm? -97.09 -35.65 10.74 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.196 0.522 . . . . 0.0 109.975 178.97 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? 59.31 75.85 0.38 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.61 -178.472 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 25.3 m -121.61 170.15 12.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.187 -179.145 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 4.4 mmtm -85.89 45.75 1.24 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.433 -179.742 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 72.3 mt -117.13 108.73 25.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.842 0.353 . . . . 0.0 110.11 179.465 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -123.17 162.2 22.99 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.096 -179.13 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 19.7 tp -82.65 141.86 32.16 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.187 179.942 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -89.33 134.53 34.02 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 178.213 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.2 mmpp? -84.98 -24.02 28.45 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 111.817 0.303 . . . . 0.0 111.817 -178.621 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 52.2 p -66.36 -21.71 66.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.738 0.304 . . . . 0.0 111.192 -179.857 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -65.79 149.29 50.4 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.099 0.476 . . . . 0.0 111.748 -179.463 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -106.55 -38.74 6.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.712 -179.707 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 16.2 p80 -91.18 168.58 11.51 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.522 -179.303 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 53.3 mt -125.89 73.96 1.39 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.155 179.443 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -143.89 134.15 24.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.363 179.835 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 32.6 pt -116.83 164.66 12.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.927 179.966 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 13.8 p -74.71 170.43 15.85 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.543 179.681 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -71.93 -35.21 69.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.175 0.512 . . . . 0.0 110.2 179.81 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -48.97 -61.1 2.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.476 -179.896 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 17.1 m80 -65.17 -35.07 79.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.813 -179.339 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.416 ' HD3' ' HB3' ' A' ' 83' ' ' ALA . 11.1 ttpp -56.65 -46.58 80.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.928 0.394 . . . . 0.0 110.602 179.849 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -74.15 -38.39 63.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.121 -179.688 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.0 tt -64.2 -36.14 83.1 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.514 -179.51 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.412 ' HA ' ' HE3' ' A' ' 96' ' ' LYS . 72.7 mt -89.42 -44.01 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 -177.938 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -65.86 -38.85 89.92 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 -178.376 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 19.2 m -95.24 53.72 1.56 Allowed 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 115.015 1.487 . . . . 0.0 115.015 -175.896 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.434 HG21 ' CE ' ' A' ' 96' ' ' LYS . 72.3 t -126.75 -35.0 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 120.828 0.347 . . . . 0.0 110.356 177.618 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.431 ' NH2' ' HB2' ' A' ' 92' ' ' SER . 18.3 mtm180 -107.69 40.93 1.61 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.123 0.487 . . . . 0.0 110.342 178.293 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -165.9 114.67 0.97 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.542 -0.753 . . . . 0.0 109.572 179.805 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 9.8 mtp180 -142.96 -179.23 6.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.433 0.635 . . . . 0.0 112.375 -178.685 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.71 164.74 27.2 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.043 -0.981 . . . . 0.0 110.342 179.483 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 1.5 mtpm? 59.14 168.84 0.06 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.107 0.48 . . . . 0.0 112.11 179.16 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 40.9 mtt85 58.73 174.95 0.07 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.311 179.476 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.81 -72.93 0.67 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.531 -179.871 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 143.56 122.15 1.64 Allowed Glycine 0 N--CA 1.449 -0.453 0 CA-C-N 115.745 -0.662 . . . . 0.0 112.009 -179.553 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 51.4 p . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.463 -0.779 . . . . 0.0 110.783 -179.709 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 64.3 m . . . . . 0 N--CA 1.483 1.206 0 N-CA-C 111.612 0.227 . . . . 0.0 111.612 . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -125.65 29.22 6.02 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 120.569 -0.452 . . . . 0.0 112.09 -179.083 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -159.98 23.58 0.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.669 178.53 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -119.56 36.97 3.29 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.936 -0.649 . . . . 0.0 112.124 -179.603 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -118.92 -179.45 3.82 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.712 0.291 . . . . 0.0 110.292 179.95 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.95 148.82 34.21 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.141 0.496 . . . . 0.0 111.449 179.471 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 46.3 t -45.89 139.28 4.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.346 -179.735 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 32.0 p -102.87 27.18 7.27 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.96 0.409 . . . . 0.0 111.177 -179.976 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 57.7 mt -117.96 154.86 31.24 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 179.011 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 22.3 mtp180 -122.99 116.31 23.34 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.25 -179.163 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 65.7 tt0 -97.37 110.38 22.95 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 178.893 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 66.23 29.66 9.54 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.59 -178.911 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 93.7 -17.48 58.51 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.89 -0.671 . . . . 0.0 113.075 179.474 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -90.16 136.23 33.18 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.912 0.387 . . . . 0.0 111.489 -179.541 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 77' ' ' GLY . 14.8 tpp85 -73.24 63.38 0.72 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.769 -0.65 . . . . 0.0 112.67 -178.406 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 10.4 t 43.79 -85.72 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 178.406 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 114.41 -2.14 23.62 Favored Glycine 0 C--N 1.334 0.42 0 C-N-CA 120.48 -0.866 . . . . 0.0 112.939 -179.485 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 65.0 ttt180 -104.86 142.49 34.65 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 179.358 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.25 141.3 58.82 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.063 0.458 . . . . 0.0 111.839 -178.788 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -54.43 157.29 2.89 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.267 -179.823 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -112.81 -128.33 4.92 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.595 -0.812 . . . . 0.0 113.786 -179.065 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -117.16 10.09 13.74 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -178.371 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.439 ' HB2' ' CD ' ' A' ' 116' ' ' LYS . . . -105.6 168.06 9.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.147 0.499 . . . . 0.0 111.694 -179.405 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 59.8 p -135.12 137.99 43.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.67 179.693 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -61.7 129.49 41.31 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 179.092 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 56.4 p -134.41 -163.77 1.42 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.09 0.471 . . . . 0.0 111.478 -179.079 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.46 ' NZ ' ' HB2' ' A' ' 87' ' ' LYS . 1.0 OUTLIER -78.08 -47.9 17.26 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.499 179.402 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.6 tmm_? -51.89 -46.24 64.46 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.288 179.928 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.408 ' O ' HG13 ' A' ' 93' ' ' ILE . 33.0 mt -62.8 -31.85 53.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 178.956 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -68.76 -45.65 70.87 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 178.381 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.6 mmtm -60.84 -40.12 91.65 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 114.818 -1.083 . . . . 0.0 109.856 178.73 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.6 t -65.84 -49.29 68.72 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.272 179.234 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.408 HG13 ' O ' ' A' ' 89' ' ' ILE . 64.2 mt -64.24 -32.12 56.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.184 179.213 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 38.5 m -67.49 -49.48 63.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.066 -179.966 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -67.56 -34.35 76.89 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 179.49 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.452 ' HE2' ' CG2' ' A' ' 122' ' ' VAL . 4.8 mtpm? -65.3 -41.41 94.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.287 0.565 . . . . 0.0 109.84 178.551 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 16.5 tttp 62.99 67.7 0.67 Allowed 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.346 -178.611 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 11.4 m -121.06 178.75 2.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.134 -0.939 . . . . 0.0 111.232 -179.243 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 6.5 mttp -95.42 45.67 1.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.581 -179.542 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 69.2 mt -122.28 94.73 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.258 179.059 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -113.82 164.48 13.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.073 0.463 . . . . 0.0 110.948 -179.867 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 12.1 tp -84.65 140.25 31.46 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.201 179.857 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 32.6 t0 -89.73 140.34 29.67 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 177.794 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 22.2 mtmm -98.34 -8.05 27.77 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 -178.472 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 9.1 p -81.85 -4.21 55.93 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 121.047 -0.261 . . . . 0.0 110.937 179.107 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -70.96 163.82 26.72 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-O 121.264 0.554 . . . . 0.0 112.012 -179.246 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.59 14.36 16.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.641 179.836 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 11.4 p80 -165.16 172.28 12.72 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 120.942 0.401 . . . . 0.0 110.726 -178.973 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 49.8 mt -128.75 87.1 2.53 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.167 178.863 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -147.01 111.72 5.31 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.34 179.927 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 35.4 pt -89.32 173.15 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.964 -179.971 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 9.4 p -88.66 167.6 13.22 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.539 179.621 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -65.6 -35.83 81.95 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.109 0.481 . . . . 0.0 110.32 179.652 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -53.7 -58.88 5.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.325 179.896 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -66.97 -33.7 76.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.734 -179.381 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.439 ' CD ' ' HB2' ' A' ' 83' ' ' ALA . 15.9 ttpp -57.04 -53.09 62.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.95 0.405 . . . . 0.0 110.477 179.707 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -69.57 -42.58 74.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.307 -179.496 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 5.9 tt -56.69 -40.06 74.92 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.598 -179.386 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.404 HG21 HG23 ' A' ' 89' ' ' ILE . 53.6 mt -87.34 -41.35 14.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 -177.789 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -65.75 -40.57 92.23 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 -178.44 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 15.7 p -83.37 13.97 3.98 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 -175.775 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.452 ' CG2' ' HE2' ' A' ' 96' ' ' LYS . 97.1 t -95.76 -18.36 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 C-N-CA 120.269 -0.573 . . . . 0.0 110.56 178.522 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 10.8 mtp180 -113.2 -4.41 13.76 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.499 177.833 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -141.63 112.71 7.39 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 179.434 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . 0.422 ' NH1' ' OXT' ' A' ' 131' ' ' SER . 2.4 ttm180 -64.22 -72.79 0.13 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.451 -178.876 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.431 ' HD2' ' OXT' ' A' ' 131' ' ' SER . 15.5 mtt85 -119.64 162.03 19.66 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.618 0.247 . . . . 0.0 110.602 -179.995 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.92 -67.34 0.77 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.151 0.5 . . . . 0.0 109.936 179.564 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 -156.58 110.95 2.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.747 178.679 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 4.5 tptm -172.32 -48.78 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.962 0.41 . . . . 0.0 110.569 -179.588 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 156.68 -117.81 0.8 Allowed Glycine 0 N--CA 1.45 -0.412 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.974 -179.786 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 131' ' ' SER . . . . . 0.431 ' OXT' ' HD2' ' A' ' 126' ' ' ARG . 5.5 t . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.304 -0.855 . . . . 0.0 110.699 179.503 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 47.4 m . . . . . 0 N--CA 1.485 1.295 0 CA-C-O 120.873 0.368 . . . . 0.0 111.509 . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -155.13 56.86 0.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.37 0.605 . . . . 0.0 110.859 178.719 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -131.61 54.88 1.89 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.18 -0.918 . . . . 0.0 109.157 178.63 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 152.6 82.2 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.435 0 CA-C-N 115.186 -0.916 . . . . 0.0 110.994 -178.98 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -63.55 169.4 3.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.12 0.486 . . . . 0.0 111.984 -178.681 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 24.2 mt -115.96 148.21 40.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.79 -179.89 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 41.4 t -47.82 144.02 3.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 179.732 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 20.4 p -104.07 32.31 4.04 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.823 0.344 . . . . 0.0 111.552 -179.487 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 61.3 mt -119.54 158.73 25.73 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 178.855 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.409 ' HA ' ' O ' ' A' ' 74' ' ' GLU . 36.7 mtp180 -125.56 129.52 49.86 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.745 0.307 . . . . 0.0 111.278 -179.5 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -103.37 100.3 10.17 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 178.838 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 65.37 22.99 12.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.669 -179.0 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 110.1 -20.83 25.69 Favored Glycine 0 C--N 1.333 0.363 0 C-N-CA 120.748 -0.739 . . . . 0.0 113.046 179.64 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.409 ' O ' ' HA ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -82.11 127.75 33.44 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.658 0.266 . . . . 0.0 111.007 -179.361 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.47 ' O ' ' N ' ' A' ' 77' ' ' GLY . 39.4 mmm-85 -73.93 60.14 0.73 Allowed 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -178.875 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.0 t 47.12 -78.38 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 113.419 0.896 . . . . 0.0 113.419 179.004 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 101.24 -2.11 54.4 Favored Glycine 0 CA--C 1.521 0.438 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.674 -178.961 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.44 ' HD3' ' HB2' ' A' ' 112' ' ' CYS . 22.4 ttt85 -104.94 147.15 28.08 Favored 'General case' 0 CA--C 1.529 0.138 0 CA-C-O 120.684 0.278 . . . . 0.0 110.677 179.788 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.424 ' N ' ' HG2' ' A' ' 78' ' ' ARG . . . -57.91 163.95 2.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.704 -179.603 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -85.84 151.31 23.9 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.248 179.192 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -109.51 -135.46 7.25 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.447 -0.883 . . . . 0.0 114.024 -178.718 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -106.71 -3.43 20.55 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 112.208 0.448 . . . . 0.0 112.208 -178.514 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.431 ' HB3' ' CD ' ' A' ' 116' ' ' LYS . . . -87.38 166.96 14.45 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.018 0.437 . . . . 0.0 111.749 -179.301 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.3 p -132.91 155.22 49.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.362 179.457 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -84.88 146.74 27.13 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.277 -0.419 . . . . 0.0 109.883 179.083 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 86.5 p -154.89 -165.81 2.14 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.973 0.415 . . . . 0.0 111.173 -179.262 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 10.6 mtmm -79.13 -45.01 20.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.079 178.971 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.6 tmm_? -52.23 -39.13 59.87 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.57 -179.999 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.4 ' O ' HG13 ' A' ' 93' ' ' ILE . 35.9 mt -70.29 -35.15 61.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.26 179.524 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -65.32 -40.66 94.0 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 178.879 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.57 -48.11 65.09 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.371 -0.832 . . . . 0.0 110.051 179.373 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 48.0 t -53.44 -46.09 69.71 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 178.956 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 89' ' ' ILE . 97.3 mt -60.54 -52.72 58.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.187 179.111 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.4 m -51.08 -37.97 48.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.256 -179.829 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -74.39 -36.74 63.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.905 0.383 . . . . 0.0 109.968 179.724 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.424 ' CE ' HG23 ' A' ' 122' ' ' VAL . 7.3 mtpm? -69.9 -31.72 69.67 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 178.34 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 6.7 mmtp 61.62 71.05 0.56 Allowed 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 115.496 -0.774 . . . . 0.0 109.471 -178.751 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 25.8 m -130.21 162.55 37.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.321 -179.108 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.84 64.43 7.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.42 -179.633 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.9 mt -138.15 108.46 4.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.997 0.427 . . . . 0.0 110.621 179.179 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -136.08 152.05 50.46 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.471 -179.941 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.47 130.68 35.64 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.128 0.489 . . . . 0.0 112.004 -179.263 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 51.0 t0 -79.4 134.98 36.57 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 177.74 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 16.1 mtmt -86.93 -0.02 55.84 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -179.186 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 24.1 p -84.07 -14.55 50.18 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.666 0.27 . . . . 0.0 110.811 179.188 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -77.36 -169.94 1.58 Allowed 'General case' 0 C--O 1.231 0.107 0 CA-C-O 120.951 0.405 . . . . 0.0 111.66 -179.591 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.25 -71.08 0.5 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.151 -179.553 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 27.8 p80 -59.57 162.12 5.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.658 -179.332 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 49.2 mt -125.06 67.39 1.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.301 179.475 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -137.9 107.15 6.07 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.39 179.96 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 27.2 pt -78.62 -180.0 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.924 179.834 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . 0.44 ' HB2' ' HD3' ' A' ' 78' ' ' ARG . 12.5 p -96.62 160.07 14.59 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.686 179.924 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -56.58 -37.31 70.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.949 0.404 . . . . 0.0 110.512 179.552 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -53.14 -62.03 1.92 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.384 -179.593 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 25.1 m170 -65.8 -28.31 68.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.498 -179.363 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.431 ' CD ' ' HB3' ' A' ' 83' ' ' ALA . 10.0 ttpp -63.51 -54.07 42.11 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.015 0.436 . . . . 0.0 110.527 179.815 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . 0.418 ' ND2' ' OG ' ' A' ' 121' ' ' SER . 3.1 t-20 -63.95 -45.97 86.79 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.743 179.942 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.415 ' O ' ' CG2' ' A' ' 122' ' ' VAL . 4.1 tt -56.05 -54.43 45.0 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.973 -179.026 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 64.5 mt -71.72 -42.37 70.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 -177.939 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -73.88 -36.91 64.84 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 -178.416 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.418 ' OG ' ' ND2' ' A' ' 117' ' ' ASN . 50.1 m -87.09 20.9 2.51 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 115.01 1.485 . . . . 0.0 115.01 -175.81 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.424 HG23 ' CE ' ' A' ' 96' ' ' LYS . 91.8 t -98.49 -17.18 6.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.471 178.133 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -117.01 -4.62 11.48 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.294 178.532 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -164.62 98.13 0.78 Allowed 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.113 -179.916 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -80.57 -81.86 0.12 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.861 0.362 . . . . 0.0 111.441 -179.469 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 56.8 mtt-85 -144.85 35.21 1.13 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.862 -179.901 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.48 100.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.545 -0.752 . . . . 0.0 112.202 179.036 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . 0.412 ' HD2' ' OXT' ' A' ' 131' ' ' SER . 0.0 OUTLIER 45.65 -158.49 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.603 178.687 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.88 -42.33 3.42 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 121.008 0.432 . . . . 0.0 110.348 179.342 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -152.93 52.92 0.47 Allowed Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.516 -179.778 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 131' ' ' SER . . . . . 0.412 ' OXT' ' HD2' ' A' ' 128' ' ' ARG . 27.3 m . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.149 -0.929 . . . . 0.0 111.191 179.672 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 46.4 t . . . . . 0 N--CA 1.484 1.274 0 CA-C-O 121.187 0.517 . . . . 0.0 111.8 . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -143.06 99.28 3.42 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.307 178.877 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -133.3 59.78 1.72 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.986 179.371 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 175.57 61.32 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 CA-C-N 115.47 -0.787 . . . . 0.0 111.475 -179.68 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -73.37 179.64 3.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.148 0.499 . . . . 0.0 111.537 -179.236 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 65.0 mt -125.04 160.7 28.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.729 179.759 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.425 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 21.7 t -46.02 149.52 0.67 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.099 179.694 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 17.7 p -106.16 6.51 30.98 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 111.723 0.268 . . . . 0.0 111.723 179.82 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 85.4 mt -101.73 160.51 14.41 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 178.715 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 52.6 mtp180 -124.93 118.19 25.74 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.781 0.324 . . . . 0.0 111.211 -179.687 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -98.88 117.5 33.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.05 179.032 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 57.87 37.72 26.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.529 -179.13 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 80.36 -7.97 55.09 Favored Glycine 0 N--CA 1.451 -0.329 0 CA-C-N 115.872 -0.604 . . . . 0.0 113.197 179.691 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -99.24 132.99 44.17 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 117.248 0.524 . . . . 0.0 111.017 179.912 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.423 ' O ' ' N ' ' A' ' 77' ' ' GLY . 4.3 mmm180 -69.06 67.25 0.16 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.422 -0.808 . . . . 0.0 112.819 -178.174 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.425 ' HB3' ' HB3' ' A' ' 67' ' ' CYS . 12.3 t 37.43 -89.08 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 112.797 0.666 . . . . 0.0 112.797 178.1 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 124.05 -27.41 5.63 Favored Glycine 0 C--N 1.336 0.533 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.655 -179.52 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.452 ' HD3' ' HB2' ' A' ' 112' ' ' CYS . 44.9 ttt85 -77.73 148.53 34.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.656 0.265 . . . . 0.0 110.578 179.79 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.7 150.84 35.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.64 -179.621 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.91 157.1 37.3 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.079 179.252 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -109.66 -120.29 4.24 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.333 -0.937 . . . . 0.0 113.852 -178.838 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -124.49 -25.59 4.02 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -178.413 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -75.03 167.95 20.92 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.138 0.494 . . . . 0.0 111.951 -179.187 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.3 m -125.17 169.6 12.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.238 179.636 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -94.68 122.21 37.05 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.016 179.25 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 95.6 p -126.36 -162.42 1.14 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.733 -179.258 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.84 -44.52 18.31 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 178.752 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -51.49 -39.76 58.18 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.884 -179.091 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.405 ' O ' HG13 ' A' ' 93' ' ' ILE . 54.1 mt -68.62 -35.35 69.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.001 0.429 . . . . 0.0 109.901 179.206 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -63.31 -48.29 78.68 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-O 121.777 0.799 . . . . 0.0 109.114 178.283 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.3 mmtp -61.32 -45.41 94.54 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 114.3 -1.318 . . . . 0.0 110.54 179.332 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 33.6 t -59.96 -41.15 91.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.044 179.078 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.424 HG23 ' CG2' ' A' ' 98' ' ' VAL . 87.2 mt -64.85 -45.53 94.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.912 178.917 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 20.0 t -52.5 -52.15 55.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.004 -179.937 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -59.2 -29.38 67.45 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.056 0.455 . . . . 0.0 110.016 179.723 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp -79.27 -38.56 35.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.946 178.813 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.48 77.48 0.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.276 -0.874 . . . . 0.0 109.628 -178.616 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.424 ' CG2' HG23 ' A' ' 93' ' ' ILE . 27.9 m -130.69 -178.78 2.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.558 -0.747 . . . . 0.0 111.264 -179.237 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -101.83 61.4 0.89 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.374 -179.51 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 67.8 mt -134.06 105.59 7.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.052 179.072 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -132.73 164.57 26.49 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.978 -179.797 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 13.3 tp -86.56 143.28 27.76 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.73 -179.459 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -95.38 150.63 20.06 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 177.87 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.88 2.27 56.63 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.114 0.412 . . . . 0.0 112.114 -179.263 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 6.7 m -82.16 -37.36 26.28 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.968 0.413 . . . . 0.0 110.726 179.684 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.95 131.74 43.37 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.622 -179.414 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.19 -37.78 15.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.37 179.941 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 19.2 p80 -80.06 157.3 26.75 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.98 0.419 . . . . 0.0 111.388 -179.457 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 83.8 mt -121.97 83.07 2.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.087 178.96 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -147.99 117.89 7.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.298 -179.831 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 30.8 pt -96.02 162.53 2.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.841 179.873 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . 0.452 ' HB2' ' HD3' ' A' ' 78' ' ' ARG . 8.2 p -75.02 171.3 14.34 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.595 179.689 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -72.93 -28.79 62.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.01 0.433 . . . . 0.0 110.68 179.882 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -59.52 -61.72 2.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.452 -179.627 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 22.4 m170 -64.01 -36.32 83.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.662 -179.311 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.66 -53.79 54.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.982 0.42 . . . . 0.0 110.817 179.948 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -65.64 -37.99 88.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.267 -179.428 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 4.5 tt -62.44 -50.01 73.16 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.598 -179.5 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 75.7 mt -74.19 -45.47 47.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -178.079 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.86 -40.14 95.86 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 -178.252 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.8 t -76.75 9.29 2.92 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 114.379 1.252 . . . . 0.0 114.379 -175.961 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 72.7 t -97.38 -26.24 4.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 C-N-CA 120.404 -0.519 . . . . 0.0 110.369 178.751 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 9.9 mtm180 -136.62 41.17 2.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.21 0.528 . . . . 0.0 110.169 178.912 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -169.99 86.22 0.13 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.401 179.803 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.1 mtm180 -108.25 154.88 21.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.349 0.595 . . . . 0.0 112.215 -178.393 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.0 ttt-85 -108.74 -36.26 6.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.618 179.258 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.423 ' HG2' ' CD ' ' A' ' 128' ' ' ARG . 11.8 ttmm 62.77 159.88 0.08 Allowed 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.489 -0.778 . . . . 0.0 112.466 178.676 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . 0.423 ' CD ' ' HG2' ' A' ' 127' ' ' LYS . 0.9 OUTLIER 58.69 -175.92 0.09 Allowed 'General case' 0 C--N 1.334 -0.075 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.155 179.27 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -156.84 -92.43 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 116.55 -0.296 . . . . 0.0 111.53 179.641 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 169.76 -174.24 43.99 Favored Glycine 0 N--CA 1.447 -0.573 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 -178.462 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 11.9 t . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.434 -179.568 . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.7 t . . . . . 0 N--CA 1.482 1.16 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -118.43 100.19 7.31 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -179.766 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -154.29 8.98 0.35 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.851 177.732 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -140.88 59.73 0.56 Allowed Glycine 0 C--N 1.335 0.524 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 -179.608 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -96.61 170.43 9.21 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.072 0.463 . . . . 0.0 111.154 -179.164 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 82.2 mt -139.41 148.97 43.52 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.36 179.349 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 44.5 t -49.75 150.94 1.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.829 179.85 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 71.8 m -117.13 27.24 9.24 Favored 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -178.915 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 75.7 mt -114.12 163.35 15.31 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 178.695 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.408 ' HA ' ' O ' ' A' ' 74' ' ' GLU . 37.2 mtp180 -124.68 123.2 39.51 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.405 -179.577 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -104.33 92.66 4.43 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 178.651 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 66.88 43.39 2.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.757 -178.89 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 90.35 -19.61 42.49 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.928 -0.653 . . . . 0.0 113.099 179.352 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.408 ' O ' ' HA ' ' A' ' 70' ' ' ARG . 1.9 mm-40 -83.84 129.34 34.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.812 0.306 . . . . 0.0 111.368 -179.476 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 77' ' ' GLY . 1.8 tmm_? -81.93 59.64 4.41 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.45 -179.182 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 11.8 t 40.03 -84.23 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 113.221 0.823 . . . . 0.0 113.221 179.004 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 110.23 -23.96 19.51 Favored Glycine 0 C--N 1.333 0.4 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.168 -179.292 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 28.7 ttt85 -76.58 146.65 38.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.674 0.273 . . . . 0.0 110.341 179.726 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.84 157.48 21.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.652 -179.545 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.2 151.93 39.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.08 179.139 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -109.96 -135.58 7.16 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.358 -0.925 . . . . 0.0 113.885 -178.84 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -104.28 -10.27 17.97 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -178.812 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -83.43 170.21 14.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.072 0.463 . . . . 0.0 111.641 -179.462 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.0 p -139.15 140.08 37.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.6 179.605 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -63.61 125.3 23.82 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 179.088 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 93.1 p -129.64 -167.45 1.8 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.958 0.409 . . . . 0.0 111.316 -178.958 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -78.85 -41.19 30.61 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.587 179.609 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.58 -43.64 72.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.45 179.344 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 34.8 mt -65.75 -38.81 83.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.084 179.422 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.68 -51.83 65.66 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-O 121.636 0.731 . . . . 0.0 109.271 178.667 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -55.56 -40.35 71.82 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 114.667 -1.151 . . . . 0.0 109.928 178.941 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 14.9 t -61.17 -51.93 66.96 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.952 178.793 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 89.4 mt -53.0 -53.43 21.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.342 179.204 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 52.2 m -52.89 -40.36 63.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.055 -179.765 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -75.65 -18.34 59.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.884 0.374 . . . . 0.0 110.546 179.168 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 20.1 mtpp -84.92 -40.18 17.31 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-O 121.235 0.541 . . . . 0.0 110.099 178.711 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 7.2 tptt 71.66 72.46 0.17 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.417 -0.81 . . . . 0.0 109.336 -178.602 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 15.7 m -135.44 172.78 15.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.392 -179.1 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -93.46 63.69 3.54 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.388 -179.727 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 72.8 mt -129.33 117.97 44.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.525 179.372 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -133.78 159.84 39.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.452 179.595 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -77.8 123.84 27.22 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.063 0.459 . . . . 0.0 111.754 -179.526 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -77.04 111.57 12.75 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 178.134 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.29 -4.64 48.92 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.303 0.482 . . . . 0.0 112.303 -178.626 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 60.8 p -81.75 -3.68 54.41 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 121.164 -0.214 . . . . 0.0 111.552 179.88 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -72.92 -159.88 0.07 Allowed 'General case' 0 C--O 1.232 0.134 0 CA-C-O 120.918 0.39 . . . . 0.0 111.193 -179.798 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 15.0 mtp180 -138.78 4.44 2.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.362 178.973 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -163.02 -179.51 6.78 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 121.067 0.461 . . . . 0.0 111.434 -178.741 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 33.5 mt -118.54 81.9 1.76 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.802 178.312 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -141.96 120.52 12.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.573 179.852 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 43.4 pt -100.83 168.89 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.95 179.842 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 23.6 p -86.62 174.6 8.79 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.493 179.531 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -73.9 -28.71 61.68 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.468 179.605 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -58.96 -61.99 2.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.634 -179.408 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 22.2 m80 -66.23 -26.15 67.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.69 -179.314 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.85 -54.11 25.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.046 0.45 . . . . 0.0 110.658 179.801 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 32.9 t30 -69.86 -28.71 65.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.066 -179.748 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 4.3 tt -72.9 -48.75 34.5 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.777 -179.089 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 67.8 mt -79.1 -41.97 23.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 113.275 0.843 . . . . 0.0 113.275 -177.952 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -62.65 -36.39 82.68 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 -178.238 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.91 33.28 0.86 Allowed 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 114.841 1.422 . . . . 0.0 114.841 -175.653 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 72.2 t -104.09 -32.06 2.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.115 0.483 . . . . 0.0 109.724 177.861 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 29.6 mtm180 -129.74 78.62 1.86 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.9 178.018 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -124.84 110.95 14.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.625 -179.303 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 42.7 mtm180 -114.38 -47.44 2.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.055 0.455 . . . . 0.0 111.283 -179.533 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 26.1 ttt180 -161.81 -41.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.419 -179.724 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 4.8 ttpp 39.45 66.5 0.56 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.068 -0.969 . . . . 0.0 113.073 178.207 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 2.0 ttt85 -131.02 -1.92 4.07 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.462 176.779 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? 58.59 -155.13 0.35 Allowed 'General case' 0 CA--C 1.531 0.216 0 CA-C-O 120.532 0.206 . . . . 0.0 110.447 -179.9 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -173.23 51.16 0.16 Allowed Glycine 0 N--CA 1.446 -0.647 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 179.813 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.323 -0.846 . . . . 0.0 110.783 -179.381 . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.485 1.301 0 CA-C-O 121.114 0.483 . . . . 0.0 111.613 . . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 20.5 m-20 -125.04 89.43 3.06 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.767 -0.652 . . . . 0.0 111.836 -179.332 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -166.23 24.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.694 178.286 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -176.29 85.01 0.07 OUTLIER Glycine 0 N--CA 1.449 -0.467 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 -179.078 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -94.42 159.6 15.03 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.108 0.48 . . . . 0.0 112.093 -178.683 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 51.2 mt -116.52 152.13 34.73 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.201 179.069 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.426 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 41.4 t -47.23 154.75 0.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.13 -179.919 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 61.7 m -122.2 35.0 4.99 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 112.762 0.653 . . . . 0.0 112.762 -178.486 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 93.1 mt -121.62 165.76 15.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.862 0.363 . . . . 0.0 110.621 178.311 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.464 ' HG2' ' HD2' ' A' ' 75' ' ' ARG . 34.5 mtp180 -130.84 115.84 17.13 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.087 -179.953 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -101.19 108.08 19.65 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 178.99 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 55.32 27.07 9.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.747 -179.139 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 102.53 -4.99 51.19 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.806 -0.711 . . . . 0.0 113.4 179.314 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -92.79 123.46 36.08 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 117.219 0.509 . . . . 0.0 111.773 -179.555 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.464 ' HD2' ' HG2' ' A' ' 70' ' ' ARG . 5.8 mmm-85 -80.31 58.57 3.13 Favored 'General case' 0 C--O 1.227 -0.087 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.747 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.426 ' HB3' ' HB3' ' A' ' 67' ' ' CYS . 10.2 t 31.5 -85.87 0.0 OUTLIER 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 179.638 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 109.16 -21.16 27.4 Favored Glycine 0 C--N 1.336 0.544 0 C-N-CA 120.531 -0.842 . . . . 0.0 112.534 -179.613 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 35.3 ttt85 -71.92 147.66 46.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.842 0.353 . . . . 0.0 110.56 179.779 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.73 147.8 36.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.759 -179.426 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.98 150.42 45.68 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.119 179.05 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -109.96 -131.97 6.24 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.371 -0.918 . . . . 0.0 114.002 -178.632 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -115.97 18.09 15.67 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.605 -0.298 . . . . 0.0 111.773 -178.405 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -111.87 164.34 13.2 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.068 0.461 . . . . 0.0 111.775 -179.417 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 17.5 p -129.34 157.58 41.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.46 179.467 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -84.47 111.48 19.52 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.695 179.192 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 53.6 p -113.69 -171.52 1.91 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.055 0.455 . . . . 0.0 111.614 -178.641 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.43 -42.36 36.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.12 178.974 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.59 -41.23 61.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.122 179.545 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 76.1 mt -71.43 -38.43 68.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.212 179.436 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.96 -42.2 93.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.319 0.581 . . . . 0.0 109.654 178.902 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.04 -54.43 11.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.155 179.594 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 19.9 t -51.26 -31.47 21.16 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.07 0.462 . . . . 0.0 109.924 179.129 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.458 HG21 ' CG2' ' A' ' 98' ' ' VAL . 52.5 mt -73.6 -55.06 13.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.646 -0.707 . . . . 0.0 109.977 178.799 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.5 t -51.43 -30.46 19.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.151 -179.463 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -83.72 -33.11 25.18 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.91 0.386 . . . . 0.0 109.964 179.52 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 12.0 mtpp -62.52 -25.58 68.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.16 178.511 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.88 63.37 0.39 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.539 -178.82 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.458 ' CG2' HG21 ' A' ' 93' ' ' ILE . 25.6 m -132.65 160.39 42.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.039 -179.401 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 5.6 mttm -95.64 69.52 2.97 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.552 -179.588 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 37.1 mt -126.5 108.29 18.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.363 179.146 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -120.93 166.79 13.32 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.604 179.774 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 23.4 tp -89.91 143.47 26.76 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.211 0.529 . . . . 0.0 111.736 -179.605 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -101.6 136.49 41.35 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 178.109 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 8.7 mmtp -92.75 -21.42 19.95 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -178.707 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 98.4 p -90.03 23.13 2.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.631 0.253 . . . . 0.0 111.087 179.953 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -77.13 -90.06 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -178.816 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.429 ' HB3' ' CD2' ' A' ' 108' ' ' HIS . 4.2 ttm180 174.21 -27.75 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.802 -177.228 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . 0.429 ' CD2' ' HB3' ' A' ' 107' ' ' ARG . 11.2 p80 -169.53 -169.04 0.86 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.446 -179.591 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 24.0 mt -118.14 70.2 0.8 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.115 0.483 . . . . 0.0 109.965 178.573 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 -135.95 122.93 21.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.23 -179.644 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 34.4 pt -105.32 161.33 5.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.948 -179.877 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 7.9 p -75.24 171.57 13.95 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.467 179.568 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -70.31 -36.09 74.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.065 0.46 . . . . 0.0 110.476 179.725 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -48.77 -61.63 1.94 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.3 179.989 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 21.3 m170 -62.55 -28.64 70.0 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.748 -179.087 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 16.6 ttpp -64.3 -53.29 51.27 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.986 0.422 . . . . 0.0 110.653 179.68 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -67.07 -34.13 77.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.187 -179.676 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 7.0 tt -67.62 -50.2 59.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.064 -0.516 . . . . 0.0 112.03 -179.115 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.4 HG22 HD12 ' A' ' 119' ' ' ILE . 64.3 mt -74.05 -47.73 40.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 113.145 0.795 . . . . 0.0 113.145 -178.082 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -59.09 -42.2 89.91 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 -178.35 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 49.5 m -97.96 63.82 1.66 Allowed 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 -175.861 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 42.8 t -130.0 -34.71 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.637 0.256 . . . . 0.0 110.47 177.507 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 25.5 mtp-105 -96.89 42.92 1.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.121 0.486 . . . . 0.0 109.842 178.571 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -105.74 120.57 42.04 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.144 -179.749 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.25 -42.19 0.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.035 179.801 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.49 -51.51 0.07 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.833 -0.622 . . . . 0.0 109.457 179.462 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 38.63 49.5 1.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.185 -0.916 . . . . 0.0 112.807 179.06 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.4 -35.13 5.04 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 177.74 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 28.7 mmtp 60.62 -165.9 0.21 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.134 178.962 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 143.3 -4.75 1.81 Allowed Glycine 0 CA--C 1.522 0.493 0 C-N-CA 121.004 -0.617 . . . . 0.0 112.533 -179.24 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 23.3 t . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.567 179.568 . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 39.7 m . . . . . 0 N--CA 1.479 1.018 0 CA-C-O 121.364 0.602 . . . . 0.0 110.824 . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 39.6 t-20 61.73 42.66 10.5 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.129 -0.941 . . . . 0.0 109.872 -178.31 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -152.32 132.54 13.58 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 114.99 -1.004 . . . . 0.0 109.017 178.908 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 74.88 72.87 0.99 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.072 -1.061 . . . . 0.0 110.523 -178.06 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -93.25 158.12 15.91 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.012 0.434 . . . . 0.0 111.234 -178.278 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -108.48 141.05 40.92 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.28 0.562 . . . . 0.0 111.512 179.921 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 42.4 t -44.11 143.76 1.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.386 -179.811 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 28.4 p -101.04 24.18 9.73 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.319 -179.94 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.427 HD12 ' ND1' ' A' ' 115' ' ' HIS . 88.6 mt -110.98 150.15 29.67 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 178.851 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.403 ' HA ' ' O ' ' A' ' 74' ' ' GLU . 9.3 mtp180 -119.77 111.9 18.57 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.842 0.353 . . . . 0.0 111.354 -179.393 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -94.93 103.21 15.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.259 179.334 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 69.25 46.63 0.77 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.868 -179.543 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 74.15 -4.62 31.23 Favored Glycine 0 CA--C 1.521 0.421 0 C-N-CA 120.907 -0.663 . . . . 0.0 113.358 179.671 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.403 ' O ' ' HA ' ' A' ' 70' ' ' ARG . 25.8 mm-40 -101.35 135.34 43.0 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 117.247 0.524 . . . . 0.0 110.807 -179.53 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.478 ' O ' ' N ' ' A' ' 77' ' ' GLY . 10.9 tpp85 -69.85 61.89 0.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.33 -178.405 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 6.9 t 48.87 -79.32 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 178.45 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 114.04 -24.22 11.98 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 120.676 -0.773 . . . . 0.0 111.963 -179.196 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 46.9 ttt85 -89.03 147.54 24.21 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 179.297 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -77.93 146.96 35.23 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.919 0.39 . . . . 0.0 111.528 -178.911 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.28 154.37 8.2 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.726 179.69 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -130.51 -132.03 3.38 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.161 -1.019 . . . . 0.0 114.049 -178.976 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -101.47 64.63 1.01 Allowed 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 111.925 0.342 . . . . 0.0 111.925 -178.348 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -163.48 179.67 7.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.975 0.417 . . . . 0.0 111.447 179.872 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 33.8 p -145.94 177.26 9.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.566 179.782 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -106.3 124.06 49.0 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.592 179.042 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 64.5 p -127.46 -169.33 2.03 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.982 0.42 . . . . 0.0 111.635 -178.479 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.9 mmtm -76.32 -44.04 38.59 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.858 179.065 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.437 ' HD3' ' NH2' ' A' ' 123' ' ' ARG . 3.5 tmm_? -52.1 -37.88 55.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.684 -179.682 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 25.3 mt -69.43 -38.08 76.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.218 179.524 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -63.1 -44.53 95.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.192 0.52 . . . . 0.0 109.717 178.849 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -65.63 -47.55 75.23 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.78 179.254 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 35.5 t -54.06 -48.37 70.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.928 179.247 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 95.6 mt -64.42 -40.26 88.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.965 178.923 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 19.1 t -53.51 -53.97 43.92 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.972 179.941 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -57.71 -38.31 75.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.998 0.427 . . . . 0.0 110.043 179.81 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.428 ' CE ' HG21 ' A' ' 122' ' ' VAL . 10.6 mttm -67.17 -42.89 83.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.828 178.695 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 62.02 75.87 0.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.262 -0.881 . . . . 0.0 109.476 -178.574 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 20.3 m -127.82 -179.47 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.078 -179.245 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 7.2 mttp -91.15 55.95 3.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.951 0.405 . . . . 0.0 111.333 -179.737 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 62.9 mt -129.53 124.36 59.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.179 179.035 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -148.0 168.48 22.2 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.618 -179.545 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 34.2 tp -84.72 140.83 31.0 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.372 0.606 . . . . 0.0 111.332 179.697 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -79.6 144.34 33.92 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 177.752 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm -93.95 -29.88 15.03 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.623 -0.431 . . . . 0.0 111.428 -179.42 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 51.8 m -62.37 -36.23 81.63 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.161 179.993 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.5 153.72 38.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.878 -179.241 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.3 -76.5 0.53 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.308 -179.976 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -53.86 176.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.547 -179.157 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 89.1 mt -133.22 82.36 1.99 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.417 -0.811 . . . . 0.0 109.769 178.916 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -139.63 126.23 20.49 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.809 -179.138 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 28.5 pt -104.89 177.99 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.95 -179.802 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 7.8 p -93.14 165.2 12.94 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.369 179.515 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -64.31 -29.53 70.61 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.15 0.5 . . . . 0.0 110.259 179.744 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -56.73 -59.54 4.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.317 179.859 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . 0.427 ' ND1' HD12 ' A' ' 69' ' ' LEU . 15.9 m170 -66.23 -36.41 82.97 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.695 -179.425 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 12.1 ttpp -58.04 -53.03 62.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.146 0.498 . . . . 0.0 110.592 179.714 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 45.7 t30 -68.15 -35.38 77.98 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.219 -179.42 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.1 tt -65.7 -41.99 91.72 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.631 -179.341 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 75.4 mt -86.14 -35.83 9.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 -177.99 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -73.35 -32.19 64.39 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 113.523 0.934 . . . . 0.0 113.523 -178.165 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.6 m -88.69 9.06 25.62 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 114.488 1.292 . . . . 0.0 114.488 -176.577 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.428 HG21 ' CE ' ' A' ' 96' ' ' LYS . 84.8 t -93.67 -21.45 5.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 C-N-CA 120.269 -0.572 . . . . 0.0 110.562 178.869 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.437 ' NH2' ' HD3' ' A' ' 88' ' ' ARG . 30.4 mtm105 -102.38 48.73 0.86 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.148 0.499 . . . . 0.0 110.198 178.291 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 12.2 p-10 -101.07 100.14 10.68 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.536 -0.757 . . . . 0.0 110.501 179.873 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -125.64 -172.19 2.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.927 0.394 . . . . 0.0 111.364 -179.24 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 26.7 mtm-85 -84.61 -64.76 1.1 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.811 178.901 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 61.9 56.38 2.37 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.307 -0.86 . . . . 0.0 112.476 179.073 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 1.8 mtt85 -92.09 -10.12 40.15 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 177.457 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 16.4 mmtm 61.73 -94.33 0.04 OUTLIER 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.201 179.118 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 169.53 70.88 0.04 OUTLIER Glycine 0 N--CA 1.447 -0.628 0 N-CA-C 111.446 -0.662 . . . . 0.0 111.446 -179.419 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 4.5 m . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.134 -0.936 . . . . 0.0 110.646 -179.814 . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 28.3 m . . . . . 0 N--CA 1.481 1.086 0 N-CA-C 110.673 -0.121 . . . . 0.0 110.673 . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -90.23 -11.8 39.88 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 113.671 0.989 . . . . 0.0 113.671 -177.375 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -132.77 126.05 31.52 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 178.746 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.54 51.74 15.28 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.161 -1.019 . . . . 0.0 110.661 -178.229 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.95 169.09 1.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.023 0.439 . . . . 0.0 111.311 -178.829 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -115.75 155.28 28.07 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.025 -179.812 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 29.6 t -46.13 152.54 0.39 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.487 -179.813 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 25.1 p -114.18 18.64 16.95 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.377 179.796 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 72.2 mt -111.59 156.25 22.07 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 178.994 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.402 ' O ' ' HA ' ' A' ' 100' ' ' ILE . 37.0 mtt180 -120.02 128.97 54.02 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.774 0.321 . . . . 0.0 111.343 -179.42 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -109.41 107.92 18.26 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 178.762 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 59.48 36.13 22.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.724 -179.274 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 88.45 -15.09 57.88 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.81 -0.71 . . . . 0.0 113.097 179.639 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -89.64 135.86 33.37 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.044 0.449 . . . . 0.0 111.244 -179.64 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 6.9 tpp85 -77.3 67.53 3.26 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.556 -178.431 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 11.0 t 37.01 -101.5 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 178.357 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 138.34 -29.59 2.59 Favored Glycine 0 C--N 1.336 0.577 0 C-N-CA 120.425 -0.893 . . . . 0.0 112.234 -179.52 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 44.6 ttt180 -80.01 136.98 36.72 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 179.076 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.95 159.42 11.45 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.968 0.413 . . . . 0.0 111.57 -178.924 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.55 167.94 10.03 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.713 -179.443 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -132.51 -137.08 3.89 Favored Glycine 0 C--N 1.334 0.423 0 C-N-CA 120.539 -0.839 . . . . 0.0 113.804 -179.196 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -107.27 4.97 27.15 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 112.284 0.476 . . . . 0.0 112.284 -178.449 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.402 ' HB2' ' HD3' ' A' ' 116' ' ' LYS . . . -93.84 177.27 6.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.17 0.51 . . . . 0.0 111.595 -179.375 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 36.0 p -142.81 155.94 44.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.496 179.639 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -82.22 124.24 29.74 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 179.116 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 64.5 p -129.39 -175.92 3.73 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.12 0.486 . . . . 0.0 111.722 -179.052 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 16.7 ptmt -75.03 -38.69 61.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.013 179.17 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.55 -46.05 77.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.95 179.05 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 19.7 mt -60.8 -43.33 95.16 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 178.685 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -55.19 -49.12 72.71 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.009 -0.542 . . . . 0.0 109.826 178.885 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -57.06 -47.24 81.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.93 179.511 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.3 m -53.56 -52.95 58.1 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.178 -0.464 . . . . 0.0 109.806 178.944 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 66.3 mt -53.1 -55.34 12.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.257 179.066 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 40.6 t -49.58 -45.22 47.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.052 -179.941 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -61.3 -42.31 98.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.05 179.591 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.4 mtpm? -71.16 -31.54 67.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.982 178.923 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 6.7 tptm 58.12 71.42 0.58 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.429 -178.515 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 29.2 m -127.81 169.85 18.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.257 -179.218 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -86.05 71.76 10.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.473 -179.713 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.402 ' HA ' ' O ' ' A' ' 70' ' ' ARG . 40.0 mt -142.15 104.07 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.463 179.339 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.2 pm0 -121.63 178.5 4.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.621 179.761 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.458 ' HG ' ' N ' ' A' ' 103' ' ' ASP . 0.6 OUTLIER -93.57 142.8 26.94 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.259 0.552 . . . . 0.0 112.198 -179.196 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.458 ' N ' ' HG ' ' A' ' 102' ' ' LEU . 11.3 t70 -82.48 129.6 34.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.391 -0.822 . . . . 0.0 108.889 177.559 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.407 ' HB2' ' HE3' ' A' ' 104' ' ' LYS . 43.3 mtmt -90.05 -16.1 30.43 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 121.014 -0.274 . . . . 0.0 111.734 -179.63 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.2 p -87.2 18.21 3.83 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.567 0.223 . . . . 0.0 111.007 179.576 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -88.21 175.15 7.82 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-O 121.288 0.566 . . . . 0.0 111.483 -179.736 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -131.12 1.85 4.26 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.298 -0.864 . . . . 0.0 111.306 179.557 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 29.7 p80 -149.96 164.35 35.69 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 120.868 0.366 . . . . 0.0 110.744 -179.466 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 93.8 mt -120.33 72.66 0.96 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.052 179.217 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -137.97 112.03 8.47 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.421 -179.927 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 32.7 pt -87.8 173.1 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.951 179.956 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 8.4 p -89.81 165.15 14.31 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.625 179.652 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.16 -38.9 88.11 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.09 0.471 . . . . 0.0 110.356 179.746 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.413 ' O ' ' HB2' ' A' ' 118' ' ' LEU . 85.6 t80 -49.68 -62.63 1.45 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.276 -179.755 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 13.7 m170 -64.57 -26.65 68.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.773 -179.062 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.423 ' O ' ' HB2' ' A' ' 120' ' ' GLN . 13.4 ttpp -66.49 -54.66 21.43 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.863 -179.982 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -71.28 -27.47 63.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.127 -179.283 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.413 ' HB2' ' O ' ' A' ' 114' ' ' TYR . 3.1 tt -74.05 -43.44 57.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.692 -179.15 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.418 HD11 HG22 ' A' ' 119' ' ' ILE . 77.2 mt -84.35 -36.94 12.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 -178.075 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.423 ' HB2' ' O ' ' A' ' 116' ' ' LYS . 18.9 mt-30 -66.67 -34.3 77.56 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 -178.74 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 57.8 m -82.43 39.56 0.61 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 114.741 1.385 . . . . 0.0 114.741 -175.927 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 33.3 t -128.57 -41.48 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.025 0.441 . . . . 0.0 110.064 177.835 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 1.3 mtp-105 -133.37 70.1 1.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.897 177.777 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -126.78 73.9 1.44 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.84 -179.656 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -128.39 9.35 6.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.458 -179.99 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 15.8 ttt180 -120.2 70.01 0.87 Allowed 'General case' 0 N--CA 1.455 -0.211 0 CA-C-O 121.326 0.584 . . . . 0.0 110.23 179.421 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.83 -31.63 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.426 179.672 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -82.74 165.72 19.68 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 177.441 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 8.6 mtpp -88.01 -142.07 0.12 Allowed 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.358 -179.8 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 162.2 46.43 0.02 OUTLIER Glycine 0 C--N 1.338 0.665 0 N-CA-C 111.406 -0.678 . . . . 0.0 111.406 179.525 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 14.7 t . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.205 -0.903 . . . . 0.0 111.102 -179.528 . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.3 m . . . . . 0 N--CA 1.484 1.226 0 CA-C-O 120.471 0.177 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -75.0 52.9 0.57 Allowed 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 -178.318 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -144.26 70.67 1.29 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 178.685 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 144.29 81.09 0.05 OUTLIER Glycine 0 N--CA 1.449 -0.487 0 N-CA-C 110.851 -0.899 . . . . 0.0 110.851 -178.67 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.39 -165.83 1.29 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.046 0.45 . . . . 0.0 111.28 -178.755 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 85.9 mt -131.61 145.56 51.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.6 179.666 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.427 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 36.8 t -48.69 139.13 9.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.808 179.735 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.479 ' HA ' ' NH1' ' A' ' 75' ' ' ARG . 52.8 m -109.41 31.93 5.39 Favored 'General case' 0 N--CA 1.462 0.127 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -178.715 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 94.2 mt -111.97 155.63 23.42 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 178.694 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.4 ' HA ' ' O ' ' A' ' 74' ' ' GLU . 11.8 mtp180 -123.95 108.27 12.23 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.773 0.321 . . . . 0.0 111.439 -179.761 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.412 ' O ' ' HB2' ' A' ' 74' ' ' GLU . 34.5 tt0 -99.87 113.19 25.56 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.156 179.164 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 52.04 46.08 27.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.016 0.436 . . . . 0.0 110.739 -179.353 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 78.99 0.47 82.34 Favored Glycine 0 CA--C 1.519 0.305 0 C-N-CA 120.881 -0.676 . . . . 0.0 113.346 179.396 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.412 ' HB2' ' O ' ' A' ' 71' ' ' GLU . 17.7 mm-40 -101.01 124.82 47.32 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 117.286 0.543 . . . . 0.0 111.509 -179.955 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.583 ' O ' ' N ' ' A' ' 77' ' ' GLY . 2.4 mmm180 -85.53 55.33 3.46 Favored 'General case' 0 C--O 1.223 -0.336 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.914 -179.914 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.427 ' HB3' ' HB3' ' A' ' 67' ' ' CYS . 0.5 OUTLIER 39.23 -73.27 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 179.923 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.583 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 96.81 -24.46 30.92 Favored Glycine 0 N--CA 1.449 -0.46 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 -179.144 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 37.7 ttt180 -69.96 143.63 52.59 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.424 -0.388 . . . . 0.0 110.553 179.433 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.15 148.63 43.87 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.623 -179.613 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.86 154.37 41.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.639 178.789 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -131.68 -151.86 7.02 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 119.816 -1.183 . . . . 0.0 113.936 -178.831 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -85.25 60.26 6.13 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.06 -0.57 . . . . 0.0 111.282 -178.792 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.401 ' HB1' ' HD3' ' A' ' 116' ' ' LYS . . . -151.67 164.97 35.79 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.209 179.938 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.3 m -140.2 165.58 27.0 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.318 179.866 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -96.82 94.67 7.39 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 178.853 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 64.0 p -100.05 -170.38 1.87 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.141 -179.27 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.26 -43.46 33.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.461 178.688 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -51.45 -36.7 45.18 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 120.99 0.424 . . . . 0.0 110.029 179.981 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.416 HG21 HG21 ' A' ' 119' ' ' ILE . 26.2 mt -69.68 -43.29 80.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.696 178.788 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -58.45 -37.64 75.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.98 179.095 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.52 -46.0 64.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.851 179.322 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.434 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 8.2 t -54.94 -37.95 67.1 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.563 179.014 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 79.7 mt -73.63 -41.94 55.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.523 179.079 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.21 -36.17 72.72 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.261 -179.863 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -77.63 -25.86 50.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.815 0.341 . . . . 0.0 110.436 179.778 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.434 ' HG3' ' O ' ' A' ' 92' ' ' SER . 1.4 mtpp -81.94 -49.72 9.97 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.263 178.806 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 96' ' ' LYS . 49.4 mmtt 70.46 72.72 0.21 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.372 -178.012 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 16.0 m -122.51 174.02 7.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.507 -0.769 . . . . 0.0 111.53 -179.154 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 5.8 mttm -83.85 57.08 3.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.674 -179.6 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 79.4 mt -121.32 135.83 60.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.318 179.236 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -154.59 179.92 8.59 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.643 179.465 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 5.1 tp -110.48 135.44 51.16 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.158 0.504 . . . . 0.0 111.705 -179.714 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -83.66 144.39 29.44 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 177.969 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 3.8 mmmp? -96.71 -6.57 36.08 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -178.645 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 21.5 p -82.73 3.45 29.19 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 121.124 -0.23 . . . . 0.0 111.104 179.301 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -74.61 -158.91 0.08 Allowed 'General case' 0 N--CA 1.456 -0.15 0 CA-C-O 120.994 0.426 . . . . 0.0 111.548 -179.292 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -159.36 21.93 0.19 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.362 179.355 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 16.0 p80 -174.74 175.74 2.38 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 120.977 0.417 . . . . 0.0 110.871 -178.405 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 54.2 mt -126.63 66.05 1.25 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.162 179.31 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 55.7 m-85 -128.83 100.33 5.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.328 179.877 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 36.9 pt -81.74 173.44 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.938 179.864 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 20.9 p -84.97 176.0 8.72 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.585 179.616 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -73.03 -37.53 66.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.972 0.415 . . . . 0.0 110.441 179.421 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -48.42 -57.86 5.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.193 -179.99 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 15.2 m80 -66.89 -37.12 83.8 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -179.294 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.401 ' HD3' ' HB1' ' A' ' 83' ' ' ALA . 13.7 ttpp -56.01 -52.64 63.5 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.962 0.411 . . . . 0.0 110.271 179.672 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -65.11 -45.99 82.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.846 179.805 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 3.3 tt -56.53 -44.82 81.19 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.946 -179.125 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.416 HG21 HG21 ' A' ' 89' ' ' ILE . 77.5 mt -79.16 -49.78 19.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 -177.932 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -64.08 -19.75 65.46 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 -178.405 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 8.4 t -91.15 43.42 1.14 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 114.429 1.27 . . . . 0.0 114.429 -176.537 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 57.1 t -126.53 -46.01 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 177.759 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 35.3 mtp180 -98.13 61.31 1.48 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.189 0.518 . . . . 0.0 109.782 178.566 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -72.85 58.47 0.46 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.15 179.914 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -110.41 -32.38 6.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.415 -179.503 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 3.9 mtm105 -139.98 -156.81 0.71 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.702 -179.769 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 4.8 mptt 72.46 17.06 4.81 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.03 0.382 . . . . 0.0 112.03 178.643 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . 0.484 ' O ' ' N ' ' A' ' 130' ' ' GLY . 0.0 OUTLIER -132.06 -79.5 0.51 Allowed 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 178.605 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? 35.37 -86.58 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -179.985 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 128' ' ' ARG . . . -177.05 105.27 0.2 Allowed Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 121.062 -0.589 . . . . 0.0 111.81 -179.754 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 30.0 t . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.174 -0.917 . . . . 0.0 110.778 -179.672 . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.727 0.299 . . . . 0.0 111.102 . . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -92.02 52.47 1.99 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.136 0.493 . . . . 0.0 110.474 179.583 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -165.89 119.14 1.13 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.085 179.535 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 175.42 -84.29 0.07 OUTLIER Glycine 0 CA--C 1.506 -0.524 0 C-N-CA 120.528 -0.844 . . . . 0.0 112.945 -179.335 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -89.42 -168.98 2.32 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-N 114.569 -0.816 . . . . 0.0 111.227 -179.717 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.448 ' HA ' ' HA ' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -136.36 168.86 18.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.19 -0.459 . . . . 0.0 112.081 179.893 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 48.3 t -79.09 145.72 33.63 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.934 -179.624 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 28.3 p -109.81 30.3 6.81 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -179.157 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.479 HD12 ' CG ' ' A' ' 115' ' ' HIS . 55.3 mt -109.86 159.53 17.15 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 177.8 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 27.8 mtm180 -122.06 113.91 20.2 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.499 -0.318 . . . . 0.0 111.281 -179.747 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -105.27 103.2 12.69 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 178.864 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 64.97 48.66 2.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.559 -179.244 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 71.54 3.11 53.06 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.857 -0.687 . . . . 0.0 113.253 179.745 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -105.14 134.35 48.38 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 117.16 0.48 . . . . 0.0 111.396 -179.838 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.47 ' O ' ' N ' ' A' ' 77' ' ' GLY . 0.0 OUTLIER -77.38 60.02 1.95 Allowed 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.34 -179.378 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 5.7 t 44.14 -80.93 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 178.948 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 108.16 -26.89 15.57 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.578 -0.82 . . . . 0.0 111.695 -178.896 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 30.3 ttt85 -78.63 134.37 37.17 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 179.152 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.448 ' HA ' ' HA ' ' A' ' 66' ' ' LEU . . . -56.34 158.91 3.89 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.873 0.368 . . . . 0.0 111.888 -178.75 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.41 160.94 31.02 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.138 -179.884 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -122.32 -126.27 3.19 Favored Glycine 0 C--N 1.333 0.363 0 C-N-CA 120.344 -0.931 . . . . 0.0 114.083 -178.943 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -107.5 -36.11 6.56 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -178.11 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.77 154.85 35.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.033 0.444 . . . . 0.0 111.659 -179.353 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 28.8 p -122.36 167.72 12.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.508 179.449 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -90.15 110.23 21.26 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.758 179.144 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 59.8 p -118.42 -158.15 0.71 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.336 -178.809 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.401 ' O ' ' HB3' ' A' ' 90' ' ' GLN . 1.4 mttp -79.89 -51.51 9.03 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-O 121.371 0.605 . . . . 0.0 111.524 179.362 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -51.81 -43.43 63.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.103 -179.056 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 9.8 mt -64.56 -36.69 78.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 C-N-CA 120.662 -0.415 . . . . 0.0 109.95 179.128 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.401 ' HB3' ' O ' ' A' ' 87' ' ' LYS . 0.9 OUTLIER -64.48 -52.71 56.53 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-O 121.555 0.693 . . . . 0.0 109.27 178.785 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -55.6 -42.84 75.42 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 114.599 -1.182 . . . . 0.0 110.121 179.064 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.432 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 3.2 m -58.77 -50.95 72.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.723 178.595 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 85.4 mt -61.5 -31.37 50.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.396 179.262 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.6 t -62.98 -49.5 74.45 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.36 -179.958 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -68.5 -30.81 69.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.034 0.445 . . . . 0.0 110.196 179.793 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' A' ' 92' ' ' SER . 15.1 mtpp -72.81 -39.18 66.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.613 179.45 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 9.1 mmtp 57.95 70.49 0.65 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.809 -178.844 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 15.4 m -124.81 159.24 31.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.048 -179.36 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 3.6 mttp -72.46 59.57 0.44 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.856 0.36 . . . . 0.0 111.233 -179.895 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 53.6 mt -138.1 109.48 5.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.968 179.599 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -139.07 166.34 24.76 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.338 179.714 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -80.61 143.28 33.26 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.935 -179.199 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -99.47 117.52 34.06 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 178.089 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 20.6 mtmm -75.72 -19.2 59.26 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 111.746 0.276 . . . . 0.0 111.746 -178.768 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 57.5 p -83.6 7.81 16.16 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 121.228 -0.189 . . . . 0.0 111.33 179.679 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.402 ' O ' ' HB2' ' A' ' 107' ' ' ARG . . . -75.43 -99.85 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 111.63 0.233 . . . . 0.0 111.63 -179.476 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.402 ' HB2' ' O ' ' A' ' 106' ' ' ALA . 35.1 ttt-85 176.08 -63.36 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.179 0 CA-C-O 121.217 0.532 . . . . 0.0 110.616 -178.804 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 27.2 p80 -115.54 -155.34 0.57 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.659 -179.078 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 67.7 mt -126.48 -118.76 0.26 Allowed 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 178.651 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 55.73 97.82 0.02 OUTLIER 'General case' 0 C--N 1.34 0.192 0 CA-C-O 120.985 0.421 . . . . 0.0 111.727 179.35 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 28.6 pt -88.01 155.68 3.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.408 179.35 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 16.1 p -74.18 164.09 27.04 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.73 179.818 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -64.37 -32.98 74.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.102 0.477 . . . . 0.0 110.229 179.566 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -52.59 -56.48 15.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.296 179.937 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . 0.479 ' CG ' HD12 ' A' ' 69' ' ' LEU . 14.7 m80 -68.96 -38.77 79.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.663 -179.383 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 16.1 ttpp -52.76 -52.54 56.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.103 0.478 . . . . 0.0 110.56 179.753 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -68.95 -45.15 71.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.356 -179.466 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 5.8 tt -55.74 -35.93 66.7 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.719 -179.43 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 87.5 mt -92.56 -39.92 11.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 113.21 0.818 . . . . 0.0 113.21 -177.971 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -73.02 -41.85 63.81 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 -177.937 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.4 t -92.28 37.43 0.99 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 -175.014 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.427 HG21 ' NZ ' ' A' ' 96' ' ' LYS . 55.3 t -97.78 -47.54 12.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 177.297 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -107.95 -19.22 13.58 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.636 177.085 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 58.4 56.09 4.58 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 -178.964 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.86 116.76 16.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.996 -178.645 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 19.6 mtp85 -147.99 173.8 12.54 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.837 178.873 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 6.8 ttmm -77.21 158.72 30.17 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.791 0.329 . . . . 0.0 110.905 -179.581 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.64 139.39 49.08 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.176 179.353 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.68 -5.8 0.81 Allowed 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.422 0.526 . . . . 0.0 112.422 179.366 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 155.1 -24.04 0.6 Allowed Glycine 0 N--CA 1.447 -0.574 0 N-CA-C 111.345 -0.702 . . . . 0.0 111.345 -178.948 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 13.3 t . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.248 -0.882 . . . . 0.0 111.049 179.566 . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.488 1.43 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 . . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 13.6 p30 -154.83 -26.3 0.12 Allowed 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 179.135 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -136.37 100.88 4.5 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 177.654 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 101.14 52.08 1.1 Allowed Glycine 0 N--CA 1.452 -0.261 0 N-CA-C 110.623 -0.991 . . . . 0.0 110.623 -178.041 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.41 ' HB2' ' HB2' ' A' ' 80' ' ' ALA . 3.0 mt-30 -96.95 172.3 7.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.068 0.461 . . . . 0.0 111.639 -178.3 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 42.9 mt -135.73 137.5 41.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.717 179.968 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.404 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 44.3 t -40.69 147.01 0.13 Allowed 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.357 179.665 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 21.8 m -110.48 30.21 7.0 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -179.085 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 74.0 mt -113.55 141.38 47.23 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 178.342 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.425 ' NH2' ' HA2' ' A' ' 73' ' ' GLY . 55.9 mtp180 -109.61 114.29 27.78 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.943 0.402 . . . . 0.0 111.649 -179.21 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -96.69 104.64 16.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.911 179.155 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 57.0 42.28 26.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.032 0.444 . . . . 0.0 110.511 -179.468 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.425 ' HA2' ' NH2' ' A' ' 70' ' ' ARG . . . 84.15 0.96 89.67 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.772 -0.728 . . . . 0.0 113.129 179.921 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -104.15 123.87 48.06 Favored 'General case' 0 CA--C 1.521 -0.14 0 CA-C-N 117.121 0.46 . . . . 0.0 111.273 179.95 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' A' ' 77' ' ' GLY . 1.8 mmm-85 -75.16 60.49 1.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.471 -179.139 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.404 ' HB3' ' HB3' ' A' ' 67' ' ' CYS . 18.7 t 39.81 -82.37 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 179.008 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 115.31 -31.34 6.26 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.803 -0.713 . . . . 0.0 111.723 -179.383 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.4 ' HD3' ' HB2' ' A' ' 112' ' ' CYS . 11.8 ttt85 -67.14 144.24 56.16 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 179.645 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.41 160.96 7.96 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.778 0.323 . . . . 0.0 111.154 -179.863 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.41 ' HB2' ' HB2' ' A' ' 65' ' ' GLN . . . -79.53 145.14 33.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 109.989 178.971 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -104.32 -137.01 9.05 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.442 -0.885 . . . . 0.0 114.032 -178.442 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -110.34 2.81 19.31 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -178.354 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.433 ' HB3' ' CD ' ' A' ' 116' ' ' LYS . . . -88.66 168.88 12.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.032 0.444 . . . . 0.0 111.69 -179.486 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.3 m -129.37 162.15 28.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.369 179.702 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -98.15 117.38 32.39 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 178.942 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 68.0 p -122.99 -164.46 1.2 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.252 -179.11 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.489 ' HD3' ' N ' ' A' ' 87' ' ' LYS . 0.3 OUTLIER -80.71 -40.53 25.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.433 179.092 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.54 -38.37 71.77 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.889 -179.96 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 29.7 mt -71.54 -40.51 71.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.148 179.16 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.08 -37.79 86.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.803 178.878 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.54 -47.86 65.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.755 179.306 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 14.0 t -55.14 -40.83 71.02 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.966 178.975 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 96.9 mt -67.76 -44.1 85.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.139 179.021 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 36.5 m -57.38 -53.86 53.37 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.081 -179.962 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 21.1 tp60 -63.21 -37.84 88.82 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 179.574 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 8.4 mtpp -56.34 -39.33 72.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.019 178.844 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 10.9 mttt 67.1 78.23 0.25 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.618 -179.035 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 14.0 m -142.54 -178.18 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.108 -179.17 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 33.1 mttm -103.9 68.44 0.91 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.966 0.412 . . . . 0.0 111.486 -179.768 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 40.0 mt -142.46 103.92 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.218 179.166 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -125.16 159.09 32.34 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.444 179.533 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.7 tp -76.67 132.88 39.63 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.097 0.475 . . . . 0.0 111.811 -179.563 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -80.9 113.18 18.93 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 178.094 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 3.1 mmpt? -71.82 -12.01 61.08 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -178.944 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 78.5 p -94.59 31.99 1.68 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.781 0.324 . . . . 0.0 110.717 179.703 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -103.0 -152.47 0.45 Allowed 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.382 -179.602 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.03 -76.75 0.47 Allowed 'General case' 0 N--CA 1.456 -0.172 0 CA-C-O 121.189 0.518 . . . . 0.0 111.37 -179.843 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 29.9 p80 -86.89 175.77 8.01 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.582 -0.735 . . . . 0.0 112.05 -178.752 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 39.8 mt -120.74 70.27 0.9 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.857 178.989 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -135.04 117.42 15.7 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.799 -179.418 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 25.5 pt -92.33 172.38 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.956 -179.887 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . 0.4 ' HB2' ' HD3' ' A' ' 78' ' ' ARG . 8.2 p -88.09 168.07 13.11 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.516 179.661 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -65.66 -35.7 81.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.027 0.442 . . . . 0.0 110.474 179.62 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -55.49 -61.22 2.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.18 -179.964 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 14.4 m170 -65.91 -26.96 67.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.763 -179.395 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.433 ' CD ' ' HB3' ' A' ' 83' ' ' ALA . 15.7 ttpp -67.19 -53.69 28.03 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.954 0.407 . . . . 0.0 110.559 179.669 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -68.45 -26.8 65.68 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.031 -179.589 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.419 ' O ' ' CG2' ' A' ' 122' ' ' VAL . 6.9 tt -75.21 -46.38 34.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.776 -179.354 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 64.1 mt -81.15 -45.58 20.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -178.142 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.402 ' HB2' ' O ' ' A' ' 116' ' ' LYS . 17.5 mt-30 -59.09 -37.43 77.11 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 -178.66 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.47 ' HA ' ' ND2' ' A' ' 124' ' ' ASN . 10.1 t -107.98 62.23 0.61 Allowed 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 114.419 1.266 . . . . 0.0 114.419 -176.342 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.419 ' CG2' ' O ' ' A' ' 118' ' ' LEU . 85.9 t -146.03 -33.65 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 120.668 0.271 . . . . 0.0 110.843 177.863 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 16.7 mmm-85 -97.41 28.12 3.88 Favored 'General case' 0 CA--C 1.529 0.163 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 177.769 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . 0.47 ' ND2' ' HA ' ' A' ' 121' ' ' SER . 1.1 p30 -126.43 -4.8 6.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.927 -0.579 . . . . 0.0 112.095 -178.288 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 -117.29 177.17 4.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.197 0.522 . . . . 0.0 111.504 -179.296 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 15.0 mtm105 -145.68 28.42 1.17 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.095 178.897 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 5.8 ttpp 64.55 49.55 2.36 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.58 -0.736 . . . . 0.0 112.041 179.372 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 8.5 ttm-85 -56.63 -29.71 62.51 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 178.359 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 63.0 -85.65 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.646 -179.354 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -131.23 -62.98 0.09 OUTLIER Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.861 -0.685 . . . . 0.0 111.868 179.931 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 28.8 m . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.184 -0.912 . . . . 0.0 111.314 179.854 . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 041 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 38.3 m . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.796 0.331 . . . . 0.0 111.743 . . . . . . . . . 0 0 . 1 . 041 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -170.32 30.96 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.29 0.567 . . . . 0.0 110.675 178.278 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -143.29 147.29 34.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.161 -0.927 . . . . 0.0 108.891 178.976 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.89 47.56 5.82 Favored Glycine 0 N--CA 1.45 -0.407 0 N-CA-C 110.561 -1.016 . . . . 0.0 110.561 -178.135 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -71.27 -179.27 2.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.289 -0.455 . . . . 0.0 111.3 -178.784 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 52.2 mt -108.79 150.61 27.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.987 -179.966 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 46.9 t -51.84 144.55 11.19 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.864 179.627 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 27.6 p -106.35 20.78 18.46 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.849 0.357 . . . . 0.0 111.902 -179.64 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 88.4 mt -115.41 155.83 26.7 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 178.632 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 46.8 mtp180 -121.45 129.88 53.24 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.873 0.368 . . . . 0.0 111.291 -179.277 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -107.74 94.06 4.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.781 178.846 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 67.75 51.45 0.8 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.282 -179.039 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 72.68 9.15 74.02 Favored Glycine 0 N--CA 1.451 -0.356 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.981 179.936 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -109.35 120.22 41.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.948 0.404 . . . . 0.0 111.014 -179.378 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 77' ' ' GLY . 20.7 mmm-85 -76.06 60.12 1.39 Allowed 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.67 -178.813 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 35.42 -85.56 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 113.801 1.037 . . . . 0.0 113.801 179.291 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 113.16 -29.35 8.06 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.705 -0.76 . . . . 0.0 111.822 -177.945 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 45.1 ttt85 -72.53 136.19 45.81 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.742 0.306 . . . . 0.0 110.485 179.435 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -50.46 157.02 0.77 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.003 0.43 . . . . 0.0 111.926 -179.327 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -86.13 147.13 26.29 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.135 178.988 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -107.98 -128.73 5.89 Favored Glycine 0 CA--C 1.518 0.267 0 C-N-CA 120.462 -0.875 . . . . 0.0 113.82 -178.694 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -108.74 15.11 23.89 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -178.852 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.413 ' HB2' ' HD3' ' A' ' 116' ' ' LYS . . . -100.62 154.77 18.3 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.058 0.456 . . . . 0.0 111.801 -179.431 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 28.6 p -119.51 -168.35 1.57 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.007 179.204 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -123.47 144.16 49.7 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.973 179.522 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 85.7 p -146.72 -174.54 4.5 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.022 0.439 . . . . 0.0 111.327 -179.292 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.409 ' HE3' ' HA ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -78.03 -39.86 40.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.735 178.849 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -54.29 -37.01 64.29 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.287 179.318 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.435 HG22 ' CG2' ' A' ' 119' ' ' ILE . 50.3 mt -72.65 -34.76 48.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.971 179.151 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.3 -36.89 80.04 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 121.473 0.654 . . . . 0.0 109.405 178.545 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.39 -44.97 77.58 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 114.86 -1.064 . . . . 0.0 109.941 179.512 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 25.1 t -61.9 -42.79 99.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.862 179.011 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 89' ' ' ILE . 97.0 mt -61.83 -41.47 90.82 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.122 179.031 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 53.9 m -59.5 -41.1 89.08 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 10.2 tp60 -64.7 -33.99 77.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.984 0.421 . . . . 0.0 110.08 179.209 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.422 ' HE2' HG21 ' A' ' 122' ' ' VAL . 1.0 OUTLIER -74.85 -31.87 61.76 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.007 178.965 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 39.4 mmtt 61.46 69.86 0.63 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.563 -178.529 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 34.5 m -134.66 176.34 9.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.58 -0.737 . . . . 0.0 111.202 -179.222 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.7 mttm -94.5 75.27 3.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.253 -179.928 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 68.2 mt -144.79 99.22 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.492 179.307 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -139.79 165.16 28.04 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.312 179.686 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.9 135.87 40.12 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.179 0.514 . . . . 0.0 111.829 -179.172 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -86.55 123.14 31.43 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.096 178.411 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.9 mmmp? -67.14 -7.63 24.87 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -179.316 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 89.0 p -72.08 -26.23 62.07 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 120.593 0.235 . . . . 0.0 111.632 179.995 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -80.33 -164.06 0.64 Allowed 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -179.096 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.423 ' HB3' ' NH1' ' A' ' 107' ' ' ARG . 10.1 mtm105 -146.09 -61.96 0.32 Allowed 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.948 179.683 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 22.8 p80 -61.75 172.82 1.16 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.891 -178.971 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 83.5 mt -125.75 81.82 2.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.186 179.184 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -144.72 128.24 17.03 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.24 179.998 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 21.5 pt -118.55 163.48 15.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.908 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 8.3 p -82.38 160.63 22.75 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.464 179.559 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -60.85 -33.98 73.89 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.09 0.471 . . . . 0.0 110.199 179.924 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.411 ' O ' ' HB2' ' A' ' 118' ' ' LEU . 53.5 t80 -49.75 -54.43 18.98 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.003 179.904 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 18.1 m170 -76.69 -37.25 56.48 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -179.245 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.413 ' HD3' ' HB2' ' A' ' 83' ' ' ALA . 7.5 ttpp -55.61 -44.91 77.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.075 0.464 . . . . 0.0 110.658 -179.967 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -79.65 -37.58 35.66 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.231 -178.806 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.411 ' HB2' ' O ' ' A' ' 114' ' ' TYR . 6.0 tt -61.45 -31.71 71.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.279 179.977 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.435 ' CG2' HG22 ' A' ' 89' ' ' ILE . 89.9 mt -92.27 -52.96 9.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 -178.321 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -52.86 -40.06 63.1 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 113.682 0.993 . . . . 0.0 113.682 -178.125 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 80.4 p -74.77 24.16 0.09 Allowed 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 115.135 1.532 . . . . 0.0 115.135 -175.81 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.422 HG21 ' HE2' ' A' ' 96' ' ' LYS . 97.7 t -103.62 -29.95 2.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 118.465 0.575 . . . . 0.0 109.853 177.959 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 15.7 mtm180 -123.44 12.41 9.38 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.516 178.275 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -159.96 99.62 1.38 Allowed 'General case' 0 CA--C 1.528 0.098 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 179.922 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 28.8 mtm-85 -76.28 -177.25 3.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.197 0.523 . . . . 0.0 112.272 -178.796 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.39 -31.99 18.58 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.819 178.957 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.58 172.77 0.06 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.521 179.191 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 4.4 mtt-85 54.04 -168.83 0.06 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.157 179.121 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.4 ' HD3' ' O ' ' A' ' 129' ' ' LYS . 0.3 OUTLIER -144.46 -37.24 0.31 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.006 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 161.6 167.21 21.71 Favored Glycine 0 N--CA 1.446 -0.64 0 N-CA-C 111.49 -0.644 . . . . 0.0 111.49 179.455 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 13.3 t . . . . . 0 C--O 1.251 1.149 0 CA-C-O 118.296 -0.859 . . . . 0.0 110.744 179.705 . . . . . . . . 0 0 . 1 . 041 nuclear orig full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 042 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.9 m . . . . . 0 N--CA 1.485 1.314 0 CA-C-O 120.405 0.145 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 042 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -153.63 90.48 1.4 Allowed 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 120.929 0.395 . . . . 0.0 111.045 -179.856 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -83.85 135.3 34.56 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 178.188 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 88.32 63.4 1.37 Allowed Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.337 -0.935 . . . . 0.0 110.931 -178.338 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.03 -172.27 3.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.021 0.439 . . . . 0.0 111.371 -178.854 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 28.2 mt -117.97 169.56 9.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.973 -179.813 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.421 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 13.8 t -66.41 150.57 48.7 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.099 -179.924 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 20.6 p -105.98 -5.41 19.59 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.67 -0.241 . . . . 0.0 111.515 179.48 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 86.3 mt -95.04 153.93 17.41 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 178.969 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 52.9 mtp180 -124.25 125.22 44.03 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.939 -179.73 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -101.93 107.46 18.62 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.979 0.419 . . . . 0.0 110.334 179.439 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 58.97 44.55 16.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.954 -179.575 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 85.71 -19.34 25.27 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.786 -0.721 . . . . 0.0 113.058 179.674 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -82.5 121.32 26.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.85 0.325 . . . . 0.0 111.009 -179.749 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.558 ' O ' ' N ' ' A' ' 77' ' ' GLY . 1.2 mmm180 -76.53 58.96 1.42 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.316 -179.524 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.421 ' HB3' ' HB3' ' A' ' 67' ' ' CYS . 0.8 OUTLIER 40.22 -75.35 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 179.734 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.558 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 100.13 -25.35 28.63 Favored Glycine 0 N--CA 1.448 -0.515 0 N-CA-C 111.297 -0.721 . . . . 0.0 111.297 -178.939 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 45.8 ttt180 -69.06 147.55 51.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.812 0.339 . . . . 0.0 110.39 179.693 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.28 144.97 52.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.735 -179.316 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.38 152.53 44.87 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.01 179.115 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -114.51 -164.44 14.86 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.403 -0.903 . . . . 0.0 113.631 -178.93 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -84.85 13.15 6.19 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.637 -0.281 . . . . 0.0 111.747 -179.251 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -107.55 149.32 28.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.995 0.426 . . . . 0.0 111.278 179.936 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -125.59 134.47 51.92 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.71 179.77 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -49.1 112.65 0.66 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.15 179.11 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 11.6 p -115.19 -169.48 1.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.56 -178.63 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.424 ' NZ ' ' HB2' ' A' ' 87' ' ' LYS . 0.9 OUTLIER -77.26 -50.24 13.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.031 179.485 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.94 -39.31 62.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.661 -179.946 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 8.0 mt -66.92 -39.19 82.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 178.873 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 8.1 tm0? -59.72 -47.19 86.64 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.784 178.83 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.3 -41.73 97.48 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.006 179.488 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.409 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 27.2 t -57.67 -49.13 77.51 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 178.736 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 62.2 mt -57.02 -43.08 80.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.38 179.071 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.1 m -63.19 -37.8 88.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.157 -179.865 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -77.59 -37.06 51.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.945 0.403 . . . . 0.0 110.035 179.28 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.442 ' CE ' HG21 ' A' ' 122' ' ' VAL . 5.3 mtpm? -67.68 -38.01 83.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.148 178.9 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.25 78.43 0.25 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.633 -178.411 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 15.4 m -136.33 175.85 9.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.954 -179.354 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 12.9 mttm -88.92 70.35 8.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.934 0.397 . . . . 0.0 111.239 -179.701 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 45.2 mt -141.5 112.93 3.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.367 179.214 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -129.43 168.96 15.54 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.419 -179.702 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -95.92 118.51 32.69 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.112 0.482 . . . . 0.0 112.064 -179.544 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -69.55 129.82 40.75 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 177.897 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 5.1 mtpt -83.05 -10.41 58.74 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.875 -0.33 . . . . 0.0 111.804 -179.47 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 25.9 m -64.35 -35.87 82.27 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.857 0.361 . . . . 0.0 111.127 179.938 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.4 164.44 11.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.2 0.524 . . . . 0.0 112.095 -179.053 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 2.3 ttm-85 -116.85 -22.56 8.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.091 179.666 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 24.7 p80 -109.78 156.18 20.65 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.112 0.482 . . . . 0.0 111.726 -178.8 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 81.1 mt -115.48 79.99 1.37 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.82 178.886 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -141.09 98.0 3.29 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.126 -179.647 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 30.9 pt -77.91 164.45 3.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.896 -179.925 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 25.1 p -82.05 172.87 12.73 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.396 179.578 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -72.25 -33.28 67.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.208 0.528 . . . . 0.0 110.08 179.691 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -50.63 -61.45 2.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.4 -179.954 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -67.36 -32.95 74.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.991 -179.109 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 13.7 ttpp -59.22 -54.29 48.64 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.947 0.403 . . . . 0.0 110.811 -179.937 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -67.0 -39.54 87.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.959 -179.825 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.4 tt -60.91 -39.81 90.77 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.777 -179.116 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 66.2 mt -88.54 -38.34 11.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 113.334 0.865 . . . . 0.0 113.334 -177.809 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -70.81 -36.28 72.88 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 -178.289 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.7 m -86.37 21.56 2.06 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 114.82 1.415 . . . . 0.0 114.82 -176.126 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.442 HG21 ' CE ' ' A' ' 96' ' ' LYS . 58.2 t -108.09 -14.97 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 C-N-CA 120.376 -0.53 . . . . 0.0 110.82 178.201 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 17.8 mtp180 -115.8 -11.87 11.54 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.211 177.951 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 11.7 t30 -144.51 67.87 1.26 Allowed 'General case' 0 CA--C 1.529 0.14 0 N-CA-C 109.851 -0.425 . . . . 0.0 109.851 179.892 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.4 ttp-105 -82.14 -86.88 0.1 Allowed 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.737 -178.773 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 7.2 ttm180 -128.27 -63.26 1.0 Allowed 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 179.547 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 8.9 mttp 67.37 20.28 9.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.418 -0.81 . . . . 0.0 112.192 179.058 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 48.2 -148.9 0.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.222 178.955 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 22.2 ttmt -138.11 9.46 2.77 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.656 -0.418 . . . . 0.0 111.33 178.077 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -138.79 -117.86 1.55 Allowed Glycine 0 C--N 1.335 0.522 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.495 179.852 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 131' ' ' SER . . . . . 0.406 ' O ' ' OG ' ' A' ' 131' ' ' SER . 25.1 p . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.615 -0.707 . . . . 0.0 110.956 -179.823 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 043 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 90.8 p . . . . . 0 N--CA 1.482 1.127 0 CA-C-O 121.611 0.72 . . . . 0.0 111.75 . . . . . . . . . 0 0 . 1 . 043 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -144.51 17.82 1.68 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.847 -1.07 . . . . 0.0 110.303 179.043 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -133.91 42.76 2.9 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 179.351 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -134.09 66.93 0.56 Allowed Glycine 0 N--CA 1.45 -0.409 0 CA-C-N 115.513 -0.767 . . . . 0.0 112.036 -179.955 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -124.73 176.78 6.36 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.818 0.342 . . . . 0.0 110.675 -179.801 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -128.43 145.25 51.15 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.243 0.544 . . . . 0.0 111.755 179.52 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 47.9 t -46.07 138.64 5.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.156 -0.929 . . . . 0.0 111.525 -179.67 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 19.6 p -99.68 25.36 7.24 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.355 -179.957 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.43 HD13 ' ND1' ' A' ' 115' ' ' HIS . 81.5 mt -111.34 148.01 33.9 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 178.944 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.418 ' HG2' ' HD3' ' A' ' 75' ' ' ARG . 61.1 mtp180 -114.04 108.39 16.94 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.515 -0.312 . . . . 0.0 111.321 -179.554 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -92.68 120.02 32.67 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 178.92 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 55.61 25.52 8.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.665 -179.066 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 95.51 -16.82 60.49 Favored Glycine 0 C--N 1.332 0.36 0 C-N-CA 120.949 -0.643 . . . . 0.0 113.257 179.361 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -88.4 140.78 29.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.043 0.449 . . . . 0.0 111.485 -179.564 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.473 ' O ' ' N ' ' A' ' 77' ' ' GLY . 1.0 OUTLIER -72.85 61.35 0.55 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.987 -178.722 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 5.2 t 45.19 -82.14 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 178.829 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 114.52 -24.07 11.6 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.127 -179.263 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 16.3 ttt180 -89.23 140.44 29.47 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.333 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.11 151.87 34.45 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.016 0.436 . . . . 0.0 111.745 -178.778 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.78 163.09 5.96 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.389 -179.757 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -124.65 -145.54 6.64 Favored Glycine 0 C--N 1.333 0.396 0 C-N-CA 120.505 -0.855 . . . . 0.0 113.872 -179.034 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.443 ' N ' ' OD1' ' A' ' 82' ' ' ASN . 0.7 OUTLIER -95.0 -13.88 24.85 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -178.41 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -81.18 164.14 22.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.213 0.53 . . . . 0.0 111.979 -179.174 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -130.33 165.38 22.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.2 179.62 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -95.99 136.98 35.71 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.107 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -145.14 -162.5 1.51 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.926 0.393 . . . . 0.0 111.186 -179.254 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.22 -42.16 32.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.073 179.266 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.3 ttm180 -52.68 -47.75 67.0 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.451 179.554 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.411 ' O ' HG13 ' A' ' 93' ' ' ILE . 27.5 mt -63.98 -36.2 76.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.293 -0.412 . . . . 0.0 109.945 179.326 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -59.43 -49.19 78.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.654 0.74 . . . . 0.0 109.146 178.296 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.29 -51.74 64.86 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.448 -1.251 . . . . 0.0 110.439 179.359 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -49.81 -48.19 50.88 Favored 'General case' 0 N--CA 1.461 0.109 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.656 179.368 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.44 HG21 ' CG2' ' A' ' 98' ' ' VAL . 73.0 mt -60.8 -51.9 67.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.463 179.215 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.9 m -50.03 -34.28 20.89 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.311 -179.82 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.16 -39.15 25.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.002 0.429 . . . . 0.0 110.185 179.694 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.486 ' NZ ' ' HB ' ' A' ' 122' ' ' VAL . 35.6 mttp -65.76 -37.7 87.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.388 178.814 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 65.76 75.12 0.35 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.474 -178.305 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.44 ' CG2' HG21 ' A' ' 93' ' ' ILE . 10.0 m -130.14 160.2 41.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.13 -179.38 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 25.1 mttm -80.57 61.03 4.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.919 0.39 . . . . 0.0 111.429 -179.601 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 72.1 mt -131.52 107.64 13.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.253 179.07 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -124.66 149.53 47.05 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.384 179.917 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -84.22 124.96 31.76 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.072 0.463 . . . . 0.0 111.819 -179.628 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -64.77 137.06 57.57 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 177.609 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 4.0 mmtp -91.29 -23.35 20.17 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.628 -179.263 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 11.3 p -82.92 7.56 15.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.686 -0.234 . . . . 0.0 111.399 179.822 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -63.67 179.21 0.5 Allowed 'General case' 0 CA--C 1.519 -0.221 0 CA-C-O 121.458 0.646 . . . . 0.0 111.869 -179.499 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -114.1 -19.13 11.49 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.879 -179.869 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 16.7 p80 -158.94 -159.91 0.81 Allowed 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.487 -178.369 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 83.1 mt -119.49 -117.31 0.32 Allowed 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 178.539 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 59.79 121.38 0.01 OUTLIER 'General case' 0 C--N 1.34 0.156 0 CA-C-O 121.202 0.525 . . . . 0.0 111.882 179.456 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 35.1 pt -114.36 154.68 15.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.319 179.309 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 18.1 p -76.72 155.04 33.57 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.626 179.88 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.73 -37.1 58.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.114 0.483 . . . . 0.0 110.439 179.648 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 36.3 t80 -49.8 -59.12 4.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.17 -179.573 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . 0.43 ' ND1' HD13 ' A' ' 69' ' ' LEU . 23.7 m170 -67.51 -38.69 84.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.624 -179.504 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 8.2 ttpp -55.17 -51.22 67.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.072 0.463 . . . . 0.0 110.51 179.678 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . 0.413 ' ND2' ' OG ' ' A' ' 121' ' ' SER . 5.5 t-20 -68.82 -37.2 79.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.004 -179.967 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 4.1 tt -65.6 -35.98 82.41 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.649 -179.247 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.476 ' HA ' ' HE2' ' A' ' 96' ' ' LYS . 72.9 mt -88.39 -41.4 14.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 -177.864 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -72.29 -34.58 68.27 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 -178.243 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.413 ' OG ' ' ND2' ' A' ' 117' ' ' ASN . 17.8 m -83.87 40.45 0.75 Allowed 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 114.913 1.449 . . . . 0.0 114.913 -176.326 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.486 ' HB ' ' NZ ' ' A' ' 96' ' ' LYS . 13.9 t -138.21 -32.9 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.355 177.868 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 1.1 mtm180 -128.88 48.98 2.27 Favored 'General case' 0 C--O 1.23 0.078 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 177.528 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -171.71 38.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.82 -179.369 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 8.5 mtm180 -98.83 37.76 1.47 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.391 -179.794 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.415 ' O ' ' HE2' ' A' ' 127' ' ' LYS . 15.0 ttm180 -84.55 48.79 1.57 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.681 179.572 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.415 ' HE2' ' O ' ' A' ' 126' ' ' ARG . 0.2 OUTLIER -110.22 -18.48 13.29 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.223 179.567 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 14.8 mtt85 -115.03 165.4 12.94 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 178.161 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.43 -47.26 0.25 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.806 0.336 . . . . 0.0 111.436 -179.866 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 134.54 153.54 6.92 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.155 -179.454 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 89.8 p . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.184 -0.912 . . . . 0.0 110.822 -179.993 . . . . . . . . 0 0 . 1 . 043 nuclear orig full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 044 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 121.434 0.635 . . . . 0.0 112.075 . . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -167.25 33.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.167 -0.924 . . . . 0.0 109.405 178.623 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -166.47 33.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 114.882 -1.053 . . . . 0.0 109.769 179.729 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -178.2 48.74 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.378 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.646 -179.74 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -92.77 -174.95 3.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.813 0.339 . . . . 0.0 111.054 -179.52 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.08 140.86 49.15 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 121.401 0.62 . . . . 0.0 112.043 179.98 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 43.5 t -43.6 144.25 0.83 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 114.891 -1.049 . . . . 0.0 111.481 -179.81 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 31.2 p -105.78 24.99 11.4 Favored 'General case' 0 CA--C 1.528 0.126 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.439 -179.681 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 90.9 mt -113.07 149.04 34.02 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 178.445 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.44 ' HG2' ' HD3' ' A' ' 75' ' ' ARG . 17.1 mtp180 -113.79 142.36 46.17 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.908 0.385 . . . . 0.0 111.143 -179.527 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -121.64 99.39 6.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.868 178.912 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 65.15 29.98 11.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.586 -179.169 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 102.77 -22.43 37.18 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.802 -0.713 . . . . 0.0 113.382 179.232 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -88.6 126.59 35.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.277 0.561 . . . . 0.0 111.902 -179.468 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.44 ' HD3' ' HG2' ' A' ' 70' ' ' ARG . 7.0 tpp85 -69.12 63.18 0.13 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.105 -0.952 . . . . 0.0 112.175 -178.861 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 12.2 t 48.05 -86.38 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 178.463 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 114.44 -5.85 23.02 Favored Glycine 0 CA--C 1.522 0.497 0 C-N-CA 120.37 -0.919 . . . . 0.0 113.017 -179.262 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 56.6 ttt180 -104.7 143.17 33.46 Favored 'General case' 0 C--N 1.334 -0.105 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 179.214 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.02 162.76 5.33 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.005 0.431 . . . . 0.0 111.735 -178.734 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -78.71 165.12 23.98 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.821 -179.59 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -118.82 -135.59 5.21 Favored Glycine 0 C--N 1.334 0.462 0 C-N-CA 120.809 -0.71 . . . . 0.0 113.783 -179.139 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -111.21 -16.12 13.5 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 112.235 0.458 . . . . 0.0 112.235 -178.39 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.09 -161.86 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.839 0.352 . . . . 0.0 111.315 -179.701 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 32.4 p -162.97 150.79 13.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 179.731 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -76.85 140.63 40.68 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.247 -0.433 . . . . 0.0 109.848 178.906 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 90.8 p -145.02 -170.18 3.36 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.085 0.469 . . . . 0.0 111.328 -179.302 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.05 -40.42 38.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.052 178.46 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -53.27 -47.43 69.14 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 121.049 0.452 . . . . 0.0 110.323 179.561 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.425 HG23 ' CG2' ' A' ' 119' ' ' ILE . 49.7 mt -64.13 -36.26 76.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.289 179.426 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -62.12 -47.52 84.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.069 0.461 . . . . 0.0 109.915 179.216 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.9 tmtm? -61.67 -49.62 75.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.867 179.243 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 16.7 m -52.18 -43.6 64.24 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.211 179.117 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.416 HG23 ' CG2' ' A' ' 98' ' ' VAL . 97.2 mt -61.76 -52.1 64.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.141 -0.482 . . . . 0.0 109.962 178.8 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 40.1 m -49.63 -47.1 49.99 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.119 -179.845 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 41.9 tp60 -62.29 -47.7 83.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.993 0.425 . . . . 0.0 109.981 179.57 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.433 ' HE3' ' CG2' ' A' ' 122' ' ' VAL . 44.7 mttp -60.5 -42.27 96.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.067 178.755 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 2.2 mmtm 70.83 80.58 0.16 Allowed 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.451 -178.592 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.416 ' CG2' HG23 ' A' ' 93' ' ' ILE . 19.0 m -134.39 162.2 39.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.385 -178.965 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 9.9 mttm -81.28 57.78 3.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.303 -179.755 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 63.4 mt -134.87 105.49 6.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.541 179.511 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -127.77 158.27 38.13 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.243 179.849 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.435 HD23 ' NZ ' ' A' ' 104' ' ' LYS . 0.6 OUTLIER -84.43 131.8 34.63 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.292 0.568 . . . . 0.0 112.093 -179.497 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -77.98 143.66 37.39 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 177.839 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.435 ' NZ ' HD23 ' A' ' 102' ' ' LEU . 0.8 OUTLIER -95.46 -12.83 25.22 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.826 -0.35 . . . . 0.0 111.475 -179.721 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.2 p -87.63 2.89 49.72 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 120.539 0.209 . . . . 0.0 111.321 179.61 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -68.17 -138.54 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 116.701 -0.227 . . . . 0.0 111.021 -179.666 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -161.27 -67.39 0.06 Allowed 'General case' 0 N--CA 1.455 -0.218 0 CA-C-O 121.114 0.483 . . . . 0.0 110.763 179.991 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 17.0 p80 -86.54 176.75 7.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.551 -179.371 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 72.4 mt -124.93 66.34 1.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.002 179.149 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -136.32 128.75 30.3 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.265 -179.71 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 18.3 pt -105.62 -176.75 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.892 179.905 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 20.8 p -98.22 158.33 15.63 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.43 179.604 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.16 -32.82 66.79 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.005 0.431 . . . . 0.0 110.572 179.7 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -57.48 -62.18 1.96 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.642 -179.502 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 19.3 m170 -65.24 -36.6 84.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.579 -179.219 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 9.2 ttpp -58.37 -54.63 44.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.982 0.42 . . . . 0.0 110.782 -179.904 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . 0.415 ' O ' ' HB2' ' A' ' 121' ' ' SER . 14.4 t-20 -67.12 -34.76 78.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.552 -179.665 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 4.2 tt -64.2 -42.28 96.71 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.846 -179.246 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.425 ' CG2' HG23 ' A' ' 89' ' ' ILE . 77.2 mt -84.47 -36.89 12.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 -177.878 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -72.34 -33.65 67.45 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 -178.236 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.415 ' HB2' ' O ' ' A' ' 117' ' ' ASN . 0.5 OUTLIER -73.99 -16.53 61.07 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 -176.895 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.433 ' CG2' ' HE3' ' A' ' 96' ' ' LYS . 73.4 t -76.87 -20.81 14.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 C-N-CA 120.289 -0.565 . . . . 0.0 110.705 179.467 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.417 ' CZ ' ' HA ' ' A' ' 123' ' ' ARG . 0.4 OUTLIER -94.38 28.01 2.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.098 0.475 . . . . 0.0 110.098 178.511 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -160.01 25.28 0.17 Allowed 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.155 -179.989 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -86.57 72.65 10.21 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.339 -178.881 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 16.3 mtp85 -136.25 117.15 14.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.819 179.473 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 8.3 mmtt -127.92 -13.52 5.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.477 178.573 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.78 87.82 4.42 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 178.849 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 1.6 mtmp? -91.49 -75.2 0.48 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.222 -178.961 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -134.95 -121.4 2.13 Favored Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.84 -0.695 . . . . 0.0 111.567 -179.849 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.1 p . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.321 -0.847 . . . . 0.0 110.678 179.577 . . . . . . . . 0 0 . 1 . 044 nuclear orig full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 045 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 77.7 p . . . . . 0 N--CA 1.48 1.038 0 CA-C-O 121.549 0.69 . . . . 0.0 112.005 . . . . . . . . . 0 0 . 1 . 045 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 53.7 35.86 22.3 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.977 -1.01 . . . . 0.0 112.593 177.495 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -139.05 7.04 2.42 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.023 177.889 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -119.07 35.88 3.76 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.073 -179.671 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -69.4 168.07 15.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.837 0.351 . . . . 0.0 110.512 179.732 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.62 169.63 8.68 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.07 0.462 . . . . 0.0 111.699 -179.975 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 15.8 t -70.44 130.04 40.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.947 -179.857 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 26.6 p -90.25 39.0 0.95 Allowed 'General case' 0 N--CA 1.462 0.137 0 N-CA-C 112.13 0.419 . . . . 0.0 112.13 -179.326 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 76.0 mt -126.28 162.43 25.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.784 0.326 . . . . 0.0 110.447 177.812 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.433 ' HG2' ' HD3' ' A' ' 75' ' ' ARG . 19.3 mtp-105 -134.68 105.46 6.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.828 179.869 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -93.56 118.55 31.5 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 179.064 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 54.73 29.35 11.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.363 -178.934 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 88.26 -7.99 79.91 Favored Glycine 0 C--N 1.332 0.356 0 CA-C-N 115.736 -0.666 . . . . 0.0 113.344 179.415 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -87.92 126.84 35.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 117.186 0.493 . . . . 0.0 110.515 179.424 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.551 ' O ' ' N ' ' A' ' 77' ' ' GLY . 0.0 OUTLIER -74.27 57.35 0.67 Allowed 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.506 -179.009 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t 47.23 -71.47 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 113.607 0.965 . . . . 0.0 113.607 179.774 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.551 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 99.89 -9.52 60.07 Favored Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 111.39 -0.684 . . . . 0.0 111.39 -178.494 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 57.3 ttt-85 -100.46 143.01 31.15 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 179.21 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.53 166.43 6.74 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.019 0.438 . . . . 0.0 111.891 -178.714 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.27 151.19 36.85 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.399 -179.489 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -104.75 -125.75 5.65 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.7 -0.762 . . . . 0.0 113.753 -179.038 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -117.9 -29.3 5.7 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 111.968 0.358 . . . . 0.0 111.968 -178.122 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.3 159.58 32.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.037 0.446 . . . . 0.0 111.826 -179.279 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -126.27 143.76 51.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.679 179.856 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -64.45 135.01 55.65 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 178.955 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -137.18 -167.27 2.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.142 0.496 . . . . 0.0 111.857 -178.87 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.414 ' O ' ' HB3' ' A' ' 90' ' ' GLN . 2.5 mmtm -77.38 -43.88 31.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.277 178.94 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.4 ttm180 -52.69 -55.77 20.24 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.443 -0.798 . . . . 0.0 110.33 179.392 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 83.5 mt -51.94 -35.91 19.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.66 179.785 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.414 ' HB3' ' O ' ' A' ' 87' ' ' LYS . 0.5 OUTLIER -65.33 -46.56 79.81 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 178.972 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.71 -39.38 80.62 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.678 179.235 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 54.9 m -63.85 -45.39 89.7 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.797 178.907 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 86.5 mt -62.65 -30.19 48.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.015 178.883 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 33.9 m -73.76 -33.19 64.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.038 -179.975 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -81.01 -26.98 36.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.889 0.376 . . . . 0.0 110.312 179.451 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.1 mttm -78.59 -42.73 28.29 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.399 178.938 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 3.6 mmmt 67.9 67.68 0.35 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.655 -178.266 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 28.6 m -122.67 174.84 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.97 -179.521 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 32.7 mttp -89.44 41.47 1.04 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.395 -179.632 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 75.6 mt -108.66 116.86 52.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.836 0.351 . . . . 0.0 110.18 179.212 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -141.16 157.76 44.84 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.637 -179.935 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.452 ' HG ' ' N ' ' A' ' 103' ' ' ASP . 0.6 OUTLIER -86.15 146.39 26.6 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.225 0.536 . . . . 0.0 111.845 -179.308 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.452 ' N ' ' HG ' ' A' ' 102' ' ' LEU . 66.7 t0 -95.09 138.8 32.32 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 177.676 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 20.3 mmtm -96.89 13.24 29.45 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -179.102 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.8 p -95.36 -24.63 16.63 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.779 0.323 . . . . 0.0 111.18 -179.749 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -65.74 174.48 2.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.168 0.508 . . . . 0.0 111.845 -179.333 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 45.3 mtm180 -121.03 -0.86 9.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.877 179.398 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . 0.413 ' HB2' ' CD2' ' A' ' 110' ' ' TYR . 7.8 p80 -136.28 159.44 41.73 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 121.046 0.45 . . . . 0.0 111.74 -178.762 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 14.7 mt -117.3 59.91 0.76 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.627 179.652 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.413 ' CD2' ' HB2' ' A' ' 108' ' ' HIS . 80.7 m-85 -124.45 122.96 39.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.946 179.465 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 29.6 pt -103.94 168.52 2.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.798 179.846 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 25.8 p -79.69 148.99 31.35 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.55 179.688 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -52.59 -32.85 43.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.132 0.491 . . . . 0.0 110.184 179.833 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -52.9 -55.83 20.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.207 179.972 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 10.7 m170 -68.04 -36.03 79.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.635 -179.435 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.405 ' O ' ' HB2' ' A' ' 120' ' ' GLN . 4.2 ttpp -58.99 -50.92 72.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.978 0.418 . . . . 0.0 110.293 179.522 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -67.02 -34.37 77.59 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.21 -179.519 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 4.6 tt -68.71 -42.84 77.13 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.961 -179.175 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 60.1 mt -83.88 -36.79 12.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 -177.839 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.405 ' HB2' ' O ' ' A' ' 116' ' ' LYS . 1.1 mt-30 -73.14 -38.12 66.37 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 -178.565 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.415 ' HA ' ' O ' ' A' ' 124' ' ' ASN . 47.4 m -79.86 10.21 4.43 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 114.859 1.429 . . . . 0.0 114.859 -175.908 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 96.2 t -93.99 -39.67 10.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 C-N-CA 120.411 -0.515 . . . . 0.0 110.102 178.734 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -107.76 21.39 17.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.491 178.217 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . 0.415 ' O ' ' HA ' ' A' ' 121' ' ' SER . 3.2 t30 -162.31 113.07 1.56 Allowed 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.304 -179.562 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 44.5 mtp180 -120.65 142.12 49.74 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.197 0.522 . . . . 0.0 112.122 -179.195 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.6 ttt-85 -122.03 23.81 9.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.739 178.135 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 73.4 119.82 0.04 OUTLIER 'General case' 0 N--CA 1.457 -0.121 0 N-CA-C 112.994 0.739 . . . . 0.0 112.994 179.126 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . 0.409 ' HG2' ' O ' ' A' ' 128' ' ' ARG . 30.1 ttm-85 -92.3 -14.57 28.62 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 176.586 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 2.5 ttpp 71.06 -95.83 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.161 179.385 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -171.3 55.98 0.18 Allowed Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.347 -0.93 . . . . 0.0 112.395 -179.704 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.657 179.472 . . . . . . . . 0 0 . 1 . 045 nuclear orig full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 046 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.479 1.005 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 . . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -65.24 86.69 0.07 Allowed 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 121.43 0.633 . . . . 0.0 112.219 -177.732 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -163.24 22.74 0.08 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.025 -0.989 . . . . 0.0 110.615 178.36 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -104.58 35.72 4.87 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.069 -179.37 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -107.43 147.18 30.75 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.713 0.292 . . . . 0.0 110.589 -179.92 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 55.9 mt -97.28 148.29 23.27 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.468 179.535 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 41.6 t -48.93 151.82 1.17 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.748 179.686 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 11.0 p -110.55 32.88 4.87 Favored 'General case' 0 N--CA 1.462 0.153 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -179.252 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 96.9 mt -111.72 157.07 20.94 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 110.197 -0.297 . . . . 0.0 110.197 177.938 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.456 ' HG2' ' HD2' ' A' ' 75' ' ' ARG . 14.4 mtp180 -122.67 114.09 20.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.517 -179.647 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -101.7 106.03 17.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.038 178.96 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 57.21 43.7 23.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.716 -179.396 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 84.65 -11.41 59.28 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.956 -0.64 . . . . 0.0 113.302 179.518 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -88.51 130.23 35.27 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.982 0.391 . . . . 0.0 111.279 -179.378 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.456 ' HD2' ' HG2' ' A' ' 70' ' ' ARG . 35.2 mmm-85 -81.56 62.09 5.27 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.875 -178.954 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 16.3 t 40.29 -86.7 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 179.073 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 108.03 -10.95 37.45 Favored Glycine 0 C--N 1.334 0.448 0 C-N-CA 120.516 -0.849 . . . . 0.0 112.848 -179.602 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 42.2 ttt180 -91.74 153.86 19.34 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.783 0.325 . . . . 0.0 110.436 179.86 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.22 139.82 54.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.848 -179.311 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.79 149.84 29.92 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.046 179.006 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -107.39 -130.45 6.38 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.361 -0.923 . . . . 0.0 114.059 -178.615 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -115.76 -3.55 12.23 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 -178.169 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.424 ' O ' ' HA ' ' A' ' 110' ' ' TYR . . . -86.74 -174.8 5.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.943 0.402 . . . . 0.0 111.646 -179.151 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.5 m -140.19 178.83 7.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.07 179.612 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -112.04 89.9 3.19 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.751 -0.462 . . . . 0.0 109.751 178.971 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 79.9 p -87.51 -171.41 3.44 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.503 -178.866 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.4 mmtm -78.08 -38.26 44.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.968 179.05 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -53.85 -46.32 71.19 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.404 HG21 HG23 ' A' ' 119' ' ' ILE . 63.1 mt -62.4 -37.64 79.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.34 179.42 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.91 -52.06 65.6 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.384 0.612 . . . . 0.0 109.437 178.591 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.75 -38.32 75.15 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.043 -0.98 . . . . 0.0 109.746 179.199 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.7 t -60.6 -51.52 69.06 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.298 179.053 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 98.6 mt -56.37 -47.82 80.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.368 179.225 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 49.2 m -55.79 -42.96 76.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.158 -179.784 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -69.69 -31.47 69.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.886 0.374 . . . . 0.0 110.217 179.876 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.406 ' HE2' HG11 ' A' ' 122' ' ' VAL . 7.5 mtpm? -72.79 -39.42 66.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.237 0.541 . . . . 0.0 109.582 178.321 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 20.8 mttp 67.34 67.19 0.39 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.446 -178.692 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 23.7 m -126.15 -175.96 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.372 -179.057 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 8.0 mmtm -100.28 68.51 1.42 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.251 -179.822 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 61.3 mt -141.89 100.18 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.85 0.357 . . . . 0.0 110.807 179.518 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -126.82 152.44 46.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.263 179.497 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 12.1 tp -71.46 138.44 49.01 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.334 0.588 . . . . 0.0 111.802 -179.488 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -71.17 107.67 4.31 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.268 177.972 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 9.1 mmtp -64.37 -15.66 60.86 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 111.665 0.246 . . . . 0.0 111.665 -179.414 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 10.7 p -100.24 22.36 11.6 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.608 0.242 . . . . 0.0 111.106 -179.922 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -78.32 -178.5 5.75 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-O 121.256 0.551 . . . . 0.0 111.675 -179.774 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.23 -35.01 5.14 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.108 -179.817 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 28.6 p80 -145.18 -162.58 1.53 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.054 -178.695 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 57.3 mt -120.26 -126.58 0.27 Allowed 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 178.629 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.424 ' HA ' ' O ' ' A' ' 83' ' ' ALA . 91.5 m-85 57.04 84.62 0.09 Allowed 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 118.344 0.52 . . . . 0.0 111.525 179.356 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 31.6 pt -78.45 173.38 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.4 179.42 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 22.0 p -84.12 157.25 21.78 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.621 179.831 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.77 -32.22 69.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.129 0.49 . . . . 0.0 110.155 179.591 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -52.66 -58.18 7.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.343 179.991 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 11.9 m80 -68.46 -34.28 75.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.602 -179.567 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.439 ' HE2' ' NE2' ' A' ' 120' ' ' GLN . 1.1 ttpm? -58.55 -48.66 80.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.114 0.483 . . . . 0.0 110.598 179.832 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -71.63 -41.08 69.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.13 -179.628 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 3.4 tt -62.65 -33.5 75.17 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.828 -179.058 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.404 HG23 HG21 ' A' ' 89' ' ' ILE . 63.7 mt -94.63 -35.75 6.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 -177.741 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.439 ' NE2' ' HE2' ' A' ' 116' ' ' LYS . 10.7 mt-30 -68.71 -46.53 68.7 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 -178.269 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 2.2 m -80.29 26.99 0.35 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 114.898 1.444 . . . . 0.0 114.898 -175.088 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.406 HG11 ' HE2' ' A' ' 96' ' ' LYS . 62.9 t -120.63 95.74 3.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.008 0.432 . . . . 0.0 109.957 177.952 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 73.7 mtt180 51.28 51.53 16.72 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.326 -178.827 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -156.23 24.14 0.36 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.687 179.809 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 28.5 ttm-85 -112.51 -72.59 0.7 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.26 -179.35 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.7 ttm180 -125.56 178.26 5.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.264 -179.974 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 58.3 mttm -131.61 -122.26 0.2 Allowed 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 178.644 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -152.39 54.51 0.8 Allowed 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 179.139 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 10.3 mtpp -138.15 36.59 2.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.335 179.799 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -158.99 104.49 0.25 Allowed Glycine 0 N--CA 1.45 -0.401 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.957 179.83 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 131' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' A' ' 131' ' ' SER . 25.0 p . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.593 -0.717 . . . . 0.0 110.808 -179.518 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 047 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.2 m . . . . . 0 N--CA 1.481 1.115 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 . . . . . . . . . 0 0 . 1 . 047 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -90.07 20.44 4.28 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 177.203 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -128.0 13.21 6.76 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.487 177.766 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -95.35 42.31 2.36 Favored Glycine 0 C--N 1.34 0.804 0 C-N-CA 121.056 -0.593 . . . . 0.0 111.899 179.941 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -87.33 -163.9 1.0 Allowed 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 179.794 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -124.36 155.31 38.99 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-O 121.211 0.529 . . . . 0.0 111.944 179.486 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 46.7 t -49.4 158.43 0.41 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.356 -179.586 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 18.9 m -127.95 32.63 4.9 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 121.019 0.437 . . . . 0.0 111.379 -179.971 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 68.9 mt -117.63 158.11 25.22 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 178.851 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 50.0 mtt-85 -123.16 122.5 38.58 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.328 -179.445 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 74' ' ' GLU . 10.1 tt0 -92.47 120.44 32.96 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.017 178.986 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 50.51 40.2 22.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.038 0.447 . . . . 0.0 110.611 -179.453 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 78.7 -1.01 74.87 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.955 179.895 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' A' ' 71' ' ' GLU . 1.3 mm-40 -109.19 142.73 39.58 Favored 'General case' 0 C--N 1.334 -0.08 0 CA-C-O 121.11 0.481 . . . . 0.0 111.637 -179.77 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.6 mmm-85 -62.15 152.86 31.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.53 -0.759 . . . . 0.0 112.503 -179.036 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.7 t -69.29 -150.87 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.961 179.199 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -177.73 43.64 0.09 OUTLIER Glycine 0 C--N 1.335 0.518 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.593 179.889 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 17.9 ttt85 -152.02 150.45 29.98 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 178.962 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.58 161.38 20.44 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.002 0.43 . . . . 0.0 111.728 -178.623 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -83.24 157.68 22.58 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.781 -179.523 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -122.75 -162.6 11.58 Favored Glycine 0 C--N 1.335 0.519 0 C-N-CA 120.756 -0.735 . . . . 0.0 113.423 -179.388 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -73.5 -15.2 61.32 Favored 'General case' 0 N--CA 1.462 0.173 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -178.916 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -74.57 145.56 43.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.944 0.402 . . . . 0.0 111.417 -179.763 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 50.3 m -123.64 140.92 52.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.69 179.73 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -61.46 114.34 3.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.11 -0.496 . . . . 0.0 109.992 179.271 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 79.8 p -119.53 -162.22 0.91 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.994 -179.206 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.3 mmtp -81.11 -44.74 17.5 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.699 178.751 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? -52.5 -39.48 61.32 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.322 -179.327 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.402 ' O ' HG13 ' A' ' 93' ' ' ILE . 78.5 mt -68.26 -35.58 71.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.825 0.345 . . . . 0.0 110.254 179.435 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.96 -44.9 83.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.552 0.691 . . . . 0.0 109.192 178.409 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 19.2 mmtt -59.93 -50.75 72.55 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 114.821 -1.081 . . . . 0.0 110.392 179.101 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 51.7 p -56.8 -41.76 78.31 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.46 179.357 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 89' ' ' ILE . 85.0 mt -62.88 -40.21 87.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 178.722 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 12.8 t -65.45 -34.36 78.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.375 -179.907 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -73.9 -35.73 64.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.005 0.431 . . . . 0.0 110.189 179.868 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.4 ' HE2' HG22 ' A' ' 122' ' ' VAL . 3.3 mtpm? -75.51 -37.81 59.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.82 178.66 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 6.6 mtmm 66.23 74.75 0.35 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.764 -178.671 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 17.0 m -127.06 -178.9 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.147 -179.321 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 12.2 mttm -102.07 71.61 1.27 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.454 -179.719 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 54.9 mt -137.81 109.9 6.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.194 179.093 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.62 174.37 7.48 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.719 -179.835 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.2 tp -92.01 131.38 37.34 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.811 -179.29 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.4 ' OD1' ' N ' ' A' ' 105' ' ' SER . 15.6 t0 -67.05 125.51 26.22 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 178.356 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 33.7 mtmm -76.43 -30.66 57.49 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -178.724 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.4 ' N ' ' OD1' ' A' ' 103' ' ' ASP . 0.4 OUTLIER -68.09 -21.16 64.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.632 0.253 . . . . 0.0 110.975 -179.957 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -48.12 172.01 0.01 OUTLIER 'General case' 0 CA--C 1.521 -0.172 0 CA-C-O 121.292 0.568 . . . . 0.0 111.787 -179.31 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.14 -36.33 2.53 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.862 -179.267 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 10.7 p80 -112.77 -170.41 1.66 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.355 -179.21 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 46.5 mt -136.2 80.75 1.84 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.607 178.642 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -149.02 104.95 3.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.9 -178.736 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 21.1 pt -79.91 -175.98 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.991 -179.997 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 19.6 p -101.97 169.4 8.79 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.473 179.464 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -69.1 -30.47 68.78 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.115 0.483 . . . . 0.0 110.152 179.678 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -55.87 -61.16 2.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.204 179.973 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 13.7 m170 -68.28 -37.4 80.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.708 -179.4 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 7.9 ttpp -54.63 -52.67 61.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.959 0.409 . . . . 0.0 110.47 179.846 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 20.0 t30 -70.8 -35.62 72.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.317 -179.551 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 4.5 tt -63.72 -37.34 86.98 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.636 -179.366 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 54.9 mt -91.15 -48.42 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 -178.28 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -59.21 -33.56 71.12 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 -178.344 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.403 ' HA ' ' O ' ' A' ' 124' ' ' ASN . 83.3 p -89.36 10.21 23.3 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 114.503 1.297 . . . . 0.0 114.503 -176.241 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.4 HG22 ' HE2' ' A' ' 96' ' ' LYS . 67.7 t -90.54 -24.78 5.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 C-N-CA 120.318 -0.553 . . . . 0.0 110.264 178.702 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 24.8 mtp180 -104.14 -10.07 18.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.402 178.333 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . 0.403 ' O ' ' HA ' ' A' ' 121' ' ' SER . 44.8 t-20 -153.61 107.15 2.98 Favored 'General case' 0 CA--C 1.528 0.115 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 179.558 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.15 171.61 14.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.42 0.628 . . . . 0.0 112.591 -178.541 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 48.4 mtp180 -138.91 -155.38 0.59 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.077 -0.965 . . . . 0.0 109.289 179.119 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 8.1 mtmt -147.11 104.25 3.66 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 121.096 0.474 . . . . 0.0 111.872 179.494 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 19.1 mtm-85 -134.63 -36.62 0.86 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.478 178.253 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 37.5 mttm 57.75 31.3 20.26 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-O 120.88 0.371 . . . . 0.0 110.444 179.171 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -117.52 -14.56 6.84 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.999 -0.619 . . . . 0.0 112.427 179.833 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.0 p . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.41 -0.805 . . . . 0.0 110.86 179.725 . . . . . . . . 0 0 . 1 . 047 nuclear orig full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.4 ' HA ' ' HA ' ' A' ' 79' ' ' ALA . 0.1 OUTLIER -116.76 164.24 14.94 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.087 0.47 . . . . 0.0 111.84 -179.881 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 38.2 t -60.32 148.95 35.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.198 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 22.4 p -111.64 38.46 2.61 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.391 -179.688 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.423 HD12 ' ND1' ' A' ' 115' ' ' HIS . 32.7 mt -131.69 145.84 51.86 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.886 -0.412 . . . . 0.0 109.886 178.705 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.41 ' HA ' ' O ' ' A' ' 74' ' ' GLU . 53.7 mtp180 -116.06 112.22 21.45 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.437 -179.462 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -89.93 90.68 8.27 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 178.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.2 t0 68.27 40.1 2.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.514 -179.286 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 89.01 -3.95 84.69 Favored Glycine 0 CA--C 1.52 0.369 0 C-N-CA 120.852 -0.69 . . . . 0.0 113.159 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.41 ' O ' ' HA ' ' A' ' 70' ' ' ARG . 5.2 mm-40 -93.41 122.5 35.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 117.071 0.436 . . . . 0.0 111.343 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.517 ' O ' ' N ' ' A' ' 77' ' ' GLY . 3.6 tpp180 -77.33 57.92 1.57 Allowed 'General case' 0 C--O 1.225 -0.21 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.242 -179.318 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.3 t 41.87 -76.39 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 109.45 -34.08 5.71 Favored Glycine 0 N--CA 1.45 -0.367 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 -178.515 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 39.1 ttt180 -75.44 138.71 41.82 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 178.737 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.4 ' HA ' ' HA ' ' A' ' 66' ' ' LEU . . . -61.08 167.33 3.05 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.046 0.45 . . . . 0.0 111.9 -178.559 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -78.57 148.86 33.16 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.527 -179.483 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -107.03 -149.03 15.46 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.748 -0.739 . . . . 0.0 113.457 -179.289 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -95.73 -3.54 45.74 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -178.73 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.431 ' HB2' ' HD3' ' A' ' 116' ' ' LYS . . . -83.28 167.68 17.4 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.899 0.38 . . . . 0.0 111.446 -179.683 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.27 149.14 51.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.594 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -79.86 112.17 16.89 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 178.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 89.5 p -115.21 -168.21 1.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.19 0.519 . . . . 0.0 111.611 -178.766 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.9 -44.32 22.95 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.617 179.616 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.24 -42.83 70.33 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.476 179.326 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.681 HG23 HG21 ' A' ' 119' ' ' ILE . 39.9 mt -65.17 -41.23 91.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.133 179.318 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.55 -51.82 68.2 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-O 121.483 0.658 . . . . 0.0 109.447 178.606 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.91 -44.5 86.87 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 114.857 -1.065 . . . . 0.0 110.073 179.191 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 31.7 t -56.19 -45.97 79.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.015 178.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.02 -49.51 84.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.318 179.156 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.74 -45.13 58.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.181 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.89 -47.44 84.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.837 0.351 . . . . 0.0 110.114 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.3 mtpm? -61.33 -34.77 75.8 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 178.755 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.5 mmtp 60.84 74.61 0.44 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.496 -0.774 . . . . 0.0 109.657 -178.592 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 16.3 m -129.68 174.21 12.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.242 -179.221 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 45.1 mttm -88.48 63.16 6.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.531 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 32.5 mt -133.41 109.66 13.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.172 179.067 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -131.98 154.48 49.28 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.829 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 16.9 tp -69.57 142.99 53.47 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.342 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -91.32 125.61 36.14 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 177.721 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 7.7 mtmt -85.74 -12.68 50.46 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -178.135 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.2 p -76.35 -3.69 38.19 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.212 179.521 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -85.07 175.37 9.06 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 121.157 0.503 . . . . 0.0 112.04 -179.283 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -126.11 -15.28 5.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.676 179.431 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 29.9 p80 -118.61 166.37 12.82 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.211 0.529 . . . . 0.0 111.667 -178.701 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 62.2 mt -122.95 77.65 1.47 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.739 178.672 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -143.85 120.4 11.06 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.176 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 35.6 pt -100.15 170.95 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 16.4 p -84.59 164.12 18.89 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.473 179.566 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -64.1 -34.0 77.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.138 0.494 . . . . 0.0 110.335 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -54.51 -61.19 2.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.318 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' HIS . . . . . 0.423 ' ND1' HD12 ' A' ' 69' ' ' LEU . 23.6 m170 -64.1 -34.23 77.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.778 -179.325 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.431 ' HD3' ' HB2' ' A' ' 83' ' ' ALA . 14.8 ttpp -58.98 -53.94 52.78 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.058 0.456 . . . . 0.0 110.553 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -63.45 -46.32 86.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.92 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.401 ' O ' HD23 ' A' ' 118' ' ' LEU . 4.3 tt -56.44 -45.29 80.86 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.011 -178.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.681 HG21 HG23 ' A' ' 89' ' ' ILE . 81.2 mt -77.24 -38.57 27.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -178.039 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -70.07 -38.39 75.72 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 -178.304 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.327 -0.376 0 N-CA-C 114.802 1.408 . . . . 0.0 114.802 -175.355 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 . . . . . 0 N--CA 1.456 -0.165 0 CA-C-O 121.041 0.448 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 14.0 mt -124.3 146.65 48.66 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.351 179.72 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.429 ' O ' ' NH2' ' A' ' 75' ' ' ARG . 51.5 t -46.92 158.42 0.13 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.935 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 28.4 p -122.71 31.95 5.9 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -179.435 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 75.3 mt -122.43 163.26 20.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.78 0.324 . . . . 0.0 110.196 178.347 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 28.7 mtp180 -117.17 148.28 41.72 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.706 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -118.42 100.95 7.8 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.951 179.331 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 59.15 42.38 18.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.457 -179.133 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 84.36 -9.12 65.23 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.938 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -106.01 122.15 45.57 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-O 121.171 0.51 . . . . 0.0 111.246 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.429 ' NH2' ' O ' ' A' ' 67' ' ' CYS . 15.0 tpt180 -53.86 141.61 26.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.515 -0.766 . . . . 0.0 112.495 -179.072 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 34.7 t -58.0 -72.65 0.09 Allowed 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.728 178.505 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 95.45 -22.53 38.35 Favored Glycine 0 C--N 1.331 0.296 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.936 179.582 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 50.1 ttt85 -66.53 140.27 57.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.802 0.334 . . . . 0.0 110.618 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -50.08 150.77 2.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.589 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.78 152.34 44.71 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.211 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -100.85 -131.58 7.45 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.536 -0.84 . . . . 0.0 113.761 -178.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -119.21 7.2 11.26 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -178.577 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -115.34 173.87 6.29 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.038 0.447 . . . . 0.0 111.504 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.7 m -133.13 160.37 37.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.572 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -75.08 142.75 43.67 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.659 -0.496 . . . . 0.0 109.659 178.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 60.6 p -149.27 -164.47 2.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.024 0.44 . . . . 0.0 111.457 -179.158 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.14 -44.44 25.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.322 179.184 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.81 -41.79 64.5 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.503 -0.772 . . . . 0.0 110.723 179.665 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.873 HG23 HG21 ' A' ' 119' ' ' ILE . 20.6 mt -69.0 -41.88 81.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.978 179.236 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -57.58 -44.66 85.49 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-O 121.649 0.737 . . . . 0.0 109.155 178.241 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.8 mmtp -65.49 -42.49 92.08 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 114.479 -1.237 . . . . 0.0 110.131 179.182 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.401 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 59.1 m -60.99 -44.64 97.1 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.382 179.558 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.544 HG23 HG22 ' A' ' 98' ' ' VAL . 95.3 mt -63.88 -41.83 93.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.063 0.458 . . . . 0.0 109.827 178.831 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 20.6 t -55.34 -43.78 75.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.274 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -67.51 -25.31 65.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.86 0.362 . . . . 0.0 110.364 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.571 ' NZ ' HG23 ' A' ' 119' ' ' ILE . 27.0 mttp -84.89 -38.44 19.41 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.069 178.727 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 33.4 mmtm 63.78 61.58 0.97 Allowed 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.55 -178.476 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.544 HG22 HG23 ' A' ' 93' ' ' ILE . 34.7 m -112.84 168.63 5.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.17 -179.453 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 53.4 mttm -88.35 43.57 1.14 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.591 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 29.6 mt -116.93 100.01 9.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.959 0.409 . . . . 0.0 109.929 178.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -118.66 167.93 11.19 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.722 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.1 tt -87.1 117.54 25.9 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.912 -179.263 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -63.23 140.88 58.92 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 177.761 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 22.7 mttm -99.72 13.41 33.74 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.963 -179.017 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 8.4 t -91.64 -16.71 26.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.679 0.276 . . . . 0.0 110.943 179.704 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -78.71 160.64 27.37 Favored 'General case' 0 N--CA 1.457 -0.121 0 CA-C-O 121.101 0.476 . . . . 0.0 112.028 -179.486 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 36.3 mtp180 -109.67 -3.15 17.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.503 -0.772 . . . . 0.0 111.103 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' HIS . . . . . 0.412 ' HB2' ' CE1' ' A' ' 110' ' ' TYR . 12.9 p80 -131.35 166.59 20.91 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.068 0.461 . . . . 0.0 111.574 -178.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 70.2 mt -120.11 85.33 2.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.052 178.798 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.412 ' CE1' ' HB2' ' A' ' 108' ' ' HIS . 85.1 m-85 -142.87 130.59 21.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.312 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 34.1 pt -111.42 167.78 5.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.949 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 25.5 p -90.45 164.38 14.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.598 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -62.29 -29.27 70.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.082 0.467 . . . . 0.0 110.295 179.427 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -56.88 -61.91 2.11 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.353 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 30.8 m170 -71.62 -30.62 65.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.644 -179.191 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 10.4 ttpp -59.13 -53.32 59.68 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.11 0.481 . . . . 0.0 110.397 179.571 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -67.63 -40.23 84.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.025 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.41 HD23 ' O ' ' A' ' 118' ' ' LEU . 6.2 tt -62.05 -37.73 86.08 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.03 -179.05 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.873 HG21 HG23 ' A' ' 89' ' ' ILE . 84.5 mt -85.69 -41.34 15.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 -178.009 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -63.65 -46.15 86.95 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 -177.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 56.1 p . . . . . 0 C--N 1.326 -0.424 0 N-CA-C 114.502 1.297 . . . . 0.0 114.502 -175.01 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.418 ' O ' ' HA ' ' A' ' 79' ' ' ALA . 1.3 mt-30 . . . . . 0 CA--C 1.523 -0.089 0 CA-C-O 120.845 0.355 . . . . 0.0 111.112 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 26.9 mt -106.91 150.76 26.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.778 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 42.8 t -55.06 160.61 1.99 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.817 179.684 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 17.3 p -120.41 26.14 9.37 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.684 0.278 . . . . 0.0 111.722 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 64.7 mt -111.59 164.78 12.62 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 178.707 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 21.6 mtp85 -134.51 129.84 35.73 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.837 0.351 . . . . 0.0 110.875 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.405 ' O ' ' HB2' ' A' ' 74' ' ' GLU . 4.7 tt0 -105.41 107.51 18.53 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.945 179.228 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 59.16 50.81 7.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.676 -179.314 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 66.14 9.6 48.77 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.837 -0.697 . . . . 0.0 113.033 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' A' ' 71' ' ' GLU . 33.0 mm-40 -112.79 125.03 53.89 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 121.011 0.434 . . . . 0.0 110.769 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.35 133.15 55.52 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.76 -0.654 . . . . 0.0 112.065 -178.798 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 42.4 t -56.84 -53.5 57.19 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.763 179.033 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 73.56 -11.77 5.24 Favored Glycine 0 CA--C 1.521 0.41 0 CA-C-N 115.944 -0.571 . . . . 0.0 113.618 179.317 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.4 ' CZ ' ' HB2' ' A' ' 114' ' ' TYR . 38.2 ttt85 -73.05 143.23 47.56 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 117.114 0.457 . . . . 0.0 109.955 -179.388 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.418 ' HA ' ' O ' ' A' ' 65' ' ' GLN . . . -53.1 148.24 8.43 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.588 -179.43 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.63 157.13 35.9 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.867 178.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -114.35 -135.26 5.97 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.157 -1.021 . . . . 0.0 113.947 -178.722 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -111.81 15.34 20.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.463 -0.369 . . . . 0.0 111.785 -178.564 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -106.75 176.42 5.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.024 0.44 . . . . 0.0 111.597 -179.601 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 48.2 m -145.97 141.21 27.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.839 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -66.48 113.54 4.79 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.728 179.162 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 97.8 p -118.93 -172.23 2.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.991 0.424 . . . . 0.0 111.612 -179.04 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.67 -41.59 45.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.502 179.032 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -57.06 -50.7 71.95 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.106 179.187 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.924 HG23 HG21 ' A' ' 119' ' ' ILE . 63.2 mt -58.76 -40.92 81.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.832 179.078 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 18.7 tm0? -56.36 -46.56 79.94 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 121.548 0.689 . . . . 0.0 109.25 178.429 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp -63.8 -45.58 89.0 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 114.73 -1.123 . . . . 0.0 110.113 179.155 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 41.6 m -56.91 -36.96 70.78 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.277 179.245 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 93.9 mt -70.9 -48.1 58.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.215 179.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 32.6 t -52.17 -39.39 60.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.059 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -68.61 -41.74 79.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.09 0.472 . . . . 0.0 109.881 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.421 ' O ' ' HB2' ' A' ' 97' ' ' LYS . 61.0 mttp -60.06 -40.0 87.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.583 179.192 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.421 ' HB2' ' O ' ' A' ' 96' ' ' LYS . 1.8 mmtm 68.0 58.91 0.46 Allowed 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.326 -178.053 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.412 HG13 ' HB3' ' A' ' 96' ' ' LYS . 31.1 m -115.59 170.61 5.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.602 -179.082 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.0 mmtm -91.64 40.9 1.05 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.711 -179.533 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 31.0 mt -113.71 118.61 58.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.921 0.391 . . . . 0.0 110.16 178.798 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -134.91 173.04 12.16 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.414 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.437 ' HG ' ' N ' ' A' ' 103' ' ' ASP . 1.2 tp -88.7 136.02 33.21 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.38 0.61 . . . . 0.0 112.118 -179.523 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.437 ' N ' ' HG ' ' A' ' 102' ' ' LEU . 23.9 t0 -80.16 135.73 36.36 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 177.336 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 16.4 mttm -93.07 -22.47 19.1 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.35 -179.005 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 34.4 t -73.95 -4.37 34.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.581 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.92 -165.91 0.02 OUTLIER 'General case' 0 CA--C 1.522 -0.104 0 CA-C-O 121.241 0.543 . . . . 0.0 111.69 -179.464 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.8 ttp180 -128.82 -35.31 1.89 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.379 -179.549 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 14.6 p80 -132.34 174.71 9.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.114 0.483 . . . . 0.0 111.724 -178.675 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 32.3 mt -110.86 73.32 0.82 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.476 179.383 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -133.4 120.89 21.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.237 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 34.1 pt -100.14 160.02 3.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.986 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 7.6 p -76.0 160.19 30.09 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.501 179.512 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -62.63 -33.72 75.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.085 0.469 . . . . 0.0 110.435 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.4 ' HB2' ' CZ ' ' A' ' 78' ' ' ARG . 64.3 t80 -53.51 -61.57 2.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.213 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 19.5 m170 -64.29 -31.08 72.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.577 -179.221 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 11.9 ttpp -62.52 -52.96 61.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.947 0.403 . . . . 0.0 110.479 179.655 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -64.99 -30.19 71.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.0 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.452 HD23 ' O ' ' A' ' 118' ' ' LEU . 5.2 tt -74.72 -42.67 57.89 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.747 -179.721 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.924 HG21 HG23 ' A' ' 89' ' ' ILE . 82.4 mt -79.11 -37.21 19.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 113.275 0.842 . . . . 0.0 113.275 -177.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -71.37 -28.4 64.01 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 -178.314 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 59.4 p . . . . . 0 N--CA 1.466 0.368 0 N-CA-C 114.478 1.288 . . . . 0.0 114.478 -176.263 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -111.51 154.76 24.29 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.099 0.476 . . . . 0.0 111.655 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 44.8 t -48.33 143.44 4.72 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.122 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 23.6 p -104.97 33.13 3.77 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.922 0.391 . . . . 0.0 111.399 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 35.6 mt -129.79 149.56 51.47 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.678 178.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 64.2 mtp180 -115.06 114.13 24.96 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.77 0.319 . . . . 0.0 111.072 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 77.3 tt0 -91.47 106.09 18.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.106 179.168 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 57.98 43.46 21.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.923 -179.438 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 87.02 -22.84 12.52 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.766 -0.731 . . . . 0.0 113.302 179.431 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -83.6 130.24 34.98 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 117.259 0.53 . . . . 0.0 111.542 -179.615 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 77' ' ' GLY . 10.3 tpp180 -74.68 60.42 0.91 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.083 -179.398 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 7.0 t 44.61 -82.94 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 179.323 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 115.37 -31.97 5.95 Favored Glycine 0 C--N 1.332 0.319 0 C-N-CA 120.616 -0.802 . . . . 0.0 111.829 -178.668 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 62.2 ttt-85 -76.09 144.53 40.65 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 179.04 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.4 151.27 45.37 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.012 0.434 . . . . 0.0 111.734 -178.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.56 159.13 19.38 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.675 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -125.28 -136.5 4.55 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.178 -1.01 . . . . 0.0 114.068 -178.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -97.93 -15.8 19.99 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -178.154 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -79.99 169.82 17.33 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.854 0.359 . . . . 0.0 111.446 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.1 p -134.33 -166.62 1.83 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.191 179.33 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -121.31 131.97 54.51 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.837 179.613 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 47.4 p -136.54 -168.21 2.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.18 0.514 . . . . 0.0 111.611 -179.137 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.89 -44.4 40.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.245 179.453 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? -52.23 -47.0 65.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.208 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.608 HG23 HG21 ' A' ' 119' ' ' ILE . 29.7 mt -66.78 -33.55 64.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.348 179.464 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -63.08 -42.38 99.61 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-O 121.344 0.593 . . . . 0.0 109.64 178.776 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.16 -33.6 67.85 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.831 179.42 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 19.8 m -63.41 -34.99 78.95 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.687 178.751 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 71.6 mt -78.21 -45.37 26.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.921 178.815 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 38.9 t -52.14 -43.35 63.98 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.094 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 30.9 tp60 -69.84 -36.53 75.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.89 0.376 . . . . 0.0 110.154 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.452 ' HE2' ' HA ' ' A' ' 119' ' ' ILE . 41.3 mttp -66.57 -46.22 76.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.233 178.839 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.405 ' HB2' ' O ' ' A' ' 96' ' ' LYS . 6.5 mmtp 67.88 75.73 0.28 Allowed 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.703 -178.284 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 35.5 m -130.22 166.59 27.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.957 -179.248 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 20.6 mttp -80.59 68.95 6.99 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.96 0.409 . . . . 0.0 111.422 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 68.4 mt -137.31 109.14 6.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.379 179.258 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.05 151.72 41.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.853 0.359 . . . . 0.0 110.497 179.473 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.49 127.81 32.69 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.129 0.49 . . . . 0.0 112.258 -179.008 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -64.55 145.41 56.18 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 177.649 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 22.1 mmtm -98.43 -41.07 7.97 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.853 0.359 . . . . 0.0 111.073 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 76.5 p -54.65 -29.86 53.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.075 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -47.79 152.99 0.66 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.699 -179.386 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -120.66 24.92 10.04 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.267 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 12.8 p80 -165.98 156.88 13.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.283 -178.772 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 95.8 mt -116.81 73.1 0.85 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.46 179.361 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -132.24 109.4 9.89 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.954 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 49.2 pt -92.18 164.19 2.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.911 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 7.3 p -84.02 161.4 20.74 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.474 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.47 -35.55 76.16 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.994 0.426 . . . . 0.0 110.547 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 56.4 t80 -49.81 -62.37 1.6 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.773 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 18.7 m80 -64.49 -28.81 69.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.514 -179.212 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 7.9 ttpp -61.8 -54.35 43.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.946 0.403 . . . . 0.0 110.444 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -66.4 -42.09 88.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.794 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.551 HD23 ' O ' ' A' ' 118' ' ' LEU . 4.5 tt -60.94 -41.72 96.81 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.709 -179.089 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.608 HG21 HG23 ' A' ' 89' ' ' ILE . 78.8 mt -82.0 -52.72 13.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 -178.046 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -57.35 -26.17 60.57 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.252 0.834 . . . . 0.0 113.252 -178.518 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 4.9 m . . . . . 0 N--CA 1.451 -0.384 0 N-CA-C 114.824 1.416 . . . . 0.0 114.824 -176.597 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.917 0.389 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.2 mp -120.25 149.06 42.89 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.618 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.429 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 53.9 t -54.31 151.63 7.23 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.217 -179.512 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 71.7 m -121.26 30.78 6.63 Favored 'General case' 0 CA--C 1.529 0.156 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -178.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 73.7 mt -114.18 155.38 26.19 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 178.107 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.441 ' O ' ' HA ' ' A' ' 100' ' ' ILE . 7.2 mtp180 -125.35 140.62 52.65 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.758 0.313 . . . . 0.0 110.848 -179.599 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.415 ' HG2' ' OD1' ' A' ' 72' ' ' ASP . 17.8 tt0 -116.53 110.05 18.06 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.025 179.476 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.415 ' OD1' ' HG2' ' A' ' 71' ' ' GLU . 4.4 m-20 64.11 35.54 10.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.005 0.431 . . . . 0.0 110.282 -179.128 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 83.42 -5.29 78.27 Favored Glycine 0 CA--C 1.52 0.404 0 C-N-CA 120.892 -0.671 . . . . 0.0 112.903 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -104.36 133.89 48.5 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-O 120.957 0.408 . . . . 0.0 111.225 -179.654 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.48 173.55 0.38 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.082 -179.426 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.429 ' HB3' ' HB3' ' A' ' 67' ' ' CYS . 37.8 t -92.61 -60.9 1.71 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.366 179.073 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 95.14 -35.55 4.21 Favored Glycine 0 C--N 1.331 0.266 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.905 179.495 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 20.9 ttt180 -58.39 146.15 35.81 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 179.455 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.1 145.98 54.76 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.909 0.385 . . . . 0.0 111.395 -179.158 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.25 159.15 4.75 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.227 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -117.23 -146.65 8.38 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.616 -0.802 . . . . 0.0 113.713 -179.132 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -103.99 0.29 29.76 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -178.58 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -96.6 169.69 9.72 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.949 0.404 . . . . 0.0 111.268 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 82.9 p -130.32 157.92 41.23 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.795 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -83.69 97.48 9.13 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.715 179.334 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 52.1 p -102.66 -173.13 2.25 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.682 -178.711 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.402 ' HG2' ' H ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -76.1 -38.35 57.05 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.968 178.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -52.42 -45.03 65.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.161 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.471 HG23 HG21 ' A' ' 119' ' ' ILE . 25.4 mt -68.08 -39.77 81.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.062 179.204 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -55.09 -50.85 68.13 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.515 178.581 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.0 tptp -58.99 -50.52 73.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.337 178.459 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.43 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 43.8 t -48.93 -44.53 40.58 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.242 179.593 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 82.0 mt -65.82 -46.04 89.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.312 179.185 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 69.6 m -55.04 -38.31 67.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.209 -179.679 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -69.1 -40.16 78.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.916 0.388 . . . . 0.0 110.053 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.43 ' HG3' ' O ' ' A' ' 92' ' ' SER . 12.2 mtpp -73.54 -28.72 62.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.624 178.412 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 15.8 tptt 53.65 74.86 0.29 Allowed 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.631 -179.278 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 18.6 m -122.86 175.75 5.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.359 -179.223 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 55.7 mttm -92.32 55.44 2.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.255 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.441 ' HA ' ' O ' ' A' ' 70' ' ' ARG . 69.3 mt -119.7 118.21 56.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.433 179.161 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -130.77 176.58 8.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.053 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -101.32 125.91 48.01 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.911 -178.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 61.8 t0 -67.76 121.75 16.62 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 178.173 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.411 ' HB3' ' NZ ' ' A' ' 104' ' ' LYS . 0.3 OUTLIER -80.1 -18.77 49.05 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -178.675 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 75.7 m -68.56 -10.56 56.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.766 -0.197 . . . . 0.0 111.471 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -78.66 -176.16 4.74 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-O 121.015 0.436 . . . . 0.0 112.037 -179.181 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -130.7 -43.84 1.1 Allowed 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.928 179.754 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 34.1 p80 -91.81 175.85 6.74 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.651 -179.014 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 6.3 mt -133.23 79.73 1.85 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.942 179.33 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -145.64 103.9 3.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.274 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 32.0 pt -79.15 169.4 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.985 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 20.0 p -81.93 169.35 16.89 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.484 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.15 -37.46 81.06 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.095 0.474 . . . . 0.0 110.303 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 79.8 t80 -52.2 -61.19 2.43 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.398 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 8.9 m170 -60.33 -41.87 94.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.683 -179.383 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 6.6 ttpp -52.72 -53.68 44.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.018 0.437 . . . . 0.0 110.734 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -64.45 -36.29 83.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.085 -179.552 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.446 HD23 ' O ' ' A' ' 118' ' ' LEU . 5.3 tt -62.34 -48.24 80.7 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.871 -179.132 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.471 HG21 HG23 ' A' ' 89' ' ' ILE . 56.4 mt -80.47 -40.15 19.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -177.731 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -66.24 -38.83 88.81 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.666 0.987 . . . . 0.0 113.666 -177.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 28.9 p . . . . . 0 N--CA 1.468 0.444 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 -176.319 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 . . . . . 0 N--CA 1.454 -0.243 0 CA-C-O 120.786 0.327 . . . . 0.0 110.293 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.781 HD12 ' HA ' ' A' ' 79' ' ' ALA . 1.3 tp -118.35 159.87 22.65 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.046 0.45 . . . . 0.0 111.929 179.637 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 42.7 t -67.96 140.45 56.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.899 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 91.5 m -108.15 41.07 1.62 Allowed 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -178.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.53 HD11 HG21 ' A' ' 111' ' ' ILE . 80.2 mt -130.69 154.62 47.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.866 0.365 . . . . 0.0 110.607 177.776 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 45.6 mtp85 -119.53 118.28 30.62 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.867 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -90.24 126.46 35.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.823 0.344 . . . . 0.0 110.258 179.214 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 54.0 27.7 7.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.578 -179.321 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 89.22 -4.59 84.46 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.776 -0.726 . . . . 0.0 113.099 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -111.41 143.34 42.39 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.039 0.447 . . . . 0.0 111.575 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.6 tpp85 -53.07 161.51 0.81 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.601 -0.727 . . . . 0.0 112.1 -178.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 24.0 t -79.09 -67.99 0.7 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.461 179.501 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 102.16 -22.25 38.62 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.531 -0.842 . . . . 0.0 112.624 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 55.5 ttt85 -83.38 135.36 34.73 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.266 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.781 ' HA ' HD12 ' A' ' 66' ' ' LEU . . . -57.89 154.12 12.81 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.071 0.463 . . . . 0.0 111.536 -178.665 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.45 149.15 44.47 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.713 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -104.38 -114.03 3.9 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.771 -0.728 . . . . 0.0 113.498 -179.195 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -125.74 -28.48 3.24 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -178.468 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.98 176.7 0.19 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.133 0.492 . . . . 0.0 111.891 -179.269 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 60.7 p -144.0 141.53 30.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.937 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -70.11 94.02 0.86 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.856 179.24 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 92.0 p -97.55 -168.67 1.72 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.789 -178.7 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.3 mtmp? -78.02 -40.26 39.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.828 179.089 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.4 -38.58 74.52 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.612 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.529 HG23 HG21 ' A' ' 119' ' ' ILE . 40.1 mt -69.58 -34.79 63.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.237 179.321 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -66.36 -45.14 81.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.759 178.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.86 -45.61 91.78 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.945 178.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.3 m -56.86 -47.69 79.8 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.095 179.092 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.423 HG23 ' CG2' ' A' ' 98' ' ' VAL . 85.6 mt -60.23 -40.87 84.96 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.862 178.872 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.35 -45.55 91.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.967 -179.727 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.447 ' OE1' ' HA ' ' A' ' 95' ' ' GLN . 5.9 tp60 -64.3 -37.39 87.31 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.991 0.424 . . . . 0.0 109.935 179.541 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -70.51 -35.82 73.43 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 178.343 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 61.06 81.4 0.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.063 -0.971 . . . . 0.0 109.578 -178.444 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.423 ' CG2' HG23 ' A' ' 93' ' ' ILE . 28.8 m -133.66 174.09 13.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.112 -179.056 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 32.8 mttm -96.47 65.73 2.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.406 -179.663 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 60.0 mt -133.49 109.18 13.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.26 179.156 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -127.8 168.49 15.08 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.054 0.454 . . . . 0.0 110.748 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 31.2 tp -83.19 138.08 33.78 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.328 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -79.65 143.56 34.54 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.536 -0.912 . . . . 0.0 108.536 179.131 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -97.79 -2.64 40.6 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 -178.536 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 56.7 m -87.91 -14.52 39.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.692 0.282 . . . . 0.0 111.105 179.251 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -68.6 -158.37 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.986 0.422 . . . . 0.0 111.811 -179.331 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -147.56 -37.38 0.2 Allowed 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.151 -179.534 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 8.0 p80 -114.86 170.65 8.18 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 116.141 -0.482 . . . . 0.0 112.027 -179.166 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 58.9 mt -116.4 72.2 0.81 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.01 178.673 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -131.31 96.17 3.95 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.041 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.53 HG21 HD11 ' A' ' 69' ' ' LEU . 32.1 pt -79.74 174.66 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.96 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 24.9 p -86.74 175.69 8.12 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.301 179.504 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -73.18 -34.81 66.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.057 0.456 . . . . 0.0 110.243 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -51.62 -61.07 2.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.432 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 21.5 m170 -65.72 -31.73 72.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.779 -179.254 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 10.9 ttpp -60.12 -54.25 48.18 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.978 0.418 . . . . 0.0 110.802 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -70.04 -37.88 75.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.599 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.626 HD23 ' O ' ' A' ' 118' ' ' LEU . 5.6 tt -59.77 -44.17 94.0 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.796 -179.277 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.529 HG21 HG23 ' A' ' 89' ' ' ILE . 71.5 mt -83.07 -41.6 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 113.345 0.869 . . . . 0.0 113.345 -177.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -63.9 -35.23 79.97 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 113.458 0.91 . . . . 0.0 113.458 -178.272 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 86.2 p . . . . . 0 N--CA 1.465 0.302 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 -175.964 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 . . . . . 0 CA--C 1.521 -0.17 0 CA-C-O 120.898 0.38 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.59 147.53 43.63 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.25 0.548 . . . . 0.0 111.936 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.418 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 45.1 t -48.51 158.74 0.26 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.331 -0.849 . . . . 0.0 111.37 -179.599 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 84.4 m -132.86 28.37 4.21 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.695 -179.344 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.506 HD11 HG21 ' A' ' 111' ' ' ILE . 54.9 mt -114.07 167.01 11.04 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 178.739 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 44.2 mtp85 -129.6 137.1 50.52 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.957 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -113.31 104.29 12.17 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.929 179.168 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 72.37 37.52 0.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.284 -178.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 80.88 0.77 88.98 Favored Glycine 0 N--CA 1.448 -0.53 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.969 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -114.19 152.79 30.67 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.348 0.594 . . . . 0.0 112.117 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.96 169.19 5.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.03 -0.986 . . . . 0.0 111.963 -178.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.418 ' HB3' ' HB3' ' A' ' 67' ' ' CYS . 24.2 t -94.51 -73.61 0.57 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.502 179.506 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.93 -30.64 8.79 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 120.425 -0.893 . . . . 0.0 112.868 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.44 ' NH1' ' HB2' ' A' ' 114' ' ' TYR . 22.3 ttt180 -66.61 134.71 52.88 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 179.567 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.09 156.17 5.77 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.941 0.4 . . . . 0.0 111.58 -178.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.14 155.09 37.38 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.38 -179.488 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -112.25 -129.34 5.24 Favored Glycine 0 C--N 1.332 0.355 0 C-N-CA 120.707 -0.759 . . . . 0.0 113.744 -179.115 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 23.8 p30 -106.57 -19.03 13.79 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -178.477 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -77.33 170.0 17.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.135 0.493 . . . . 0.0 111.856 -179.122 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -138.21 156.84 47.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.387 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -80.02 87.29 5.42 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.811 -0.441 . . . . 0.0 109.811 179.091 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 66.9 p -96.28 -169.71 1.96 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.049 -179.281 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.8 mppp? -78.08 -39.38 41.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.416 178.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.6 tmm_? -53.37 -47.59 69.3 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.798 0.332 . . . . 0.0 110.142 179.31 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.618 HG23 HG21 ' A' ' 119' ' ' ILE . 23.4 mt -65.96 -39.86 85.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.033 179.221 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -58.8 -53.52 57.42 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.022 0.439 . . . . 0.0 110.167 179.396 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.29 -35.73 76.24 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.22 179.589 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.454 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 36.1 m -60.32 -52.24 66.11 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.795 178.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 89' ' ' ILE . 82.5 mt -57.29 -40.86 76.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.267 179.071 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.412 ' O ' ' HG2' ' A' ' 97' ' ' LYS . 2.8 m -60.53 -33.91 73.34 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.234 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.63 -32.29 63.97 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.337 179.194 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.454 ' HG3' ' O ' ' A' ' 92' ' ' SER . 1.6 mtpm? -77.63 -33.06 53.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.835 178.751 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.412 ' HG2' ' O ' ' A' ' 94' ' ' SER . 30.3 mmtt 57.14 71.44 0.58 Allowed 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.248 -178.355 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 31.6 m -125.31 170.76 14.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.395 -179.068 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 7.8 mmtp -82.95 56.38 3.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.422 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 42.6 mt -132.16 117.97 34.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.414 179.201 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -141.89 166.15 25.52 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.726 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.87 131.95 34.2 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.751 -179.501 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -79.7 147.04 32.11 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 177.475 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -92.3 -14.68 28.46 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -178.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.4 p -71.99 -31.02 65.84 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.748 0.309 . . . . 0.0 111.277 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -49.06 131.78 19.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.155 0.503 . . . . 0.0 111.556 -179.522 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 18.4 ttp180 -75.11 -17.41 60.44 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.043 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 26.2 p80 -146.14 -177.33 5.55 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.977 0.418 . . . . 0.0 111.154 -179.439 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 94.0 mt -103.74 -127.36 0.23 Allowed 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 178.634 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 57.25 115.12 0.01 OUTLIER 'General case' 0 C--N 1.339 0.14 0 CA-C-O 121.278 0.561 . . . . 0.0 111.702 179.027 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.506 HG21 HD11 ' A' ' 69' ' ' LEU . 33.7 pt -102.02 164.75 3.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.475 179.409 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 13.7 p -71.89 159.23 34.63 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.629 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.61 -29.64 69.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.076 0.465 . . . . 0.0 110.246 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.44 ' HB2' ' NH1' ' A' ' 78' ' ' ARG . 33.1 t80 -58.47 -62.14 2.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.498 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 10.8 m80 -61.12 -39.17 89.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.591 -179.102 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 6.3 ttpp -54.42 -53.42 54.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.046 0.45 . . . . 0.0 110.627 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -65.89 -33.78 76.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.163 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.449 HD23 ' O ' ' A' ' 118' ' ' LEU . 5.5 tt -67.18 -39.8 86.49 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.615 -179.291 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.618 HG21 HG23 ' A' ' 89' ' ' ILE . 73.4 mt -85.24 -42.94 16.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -178.071 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -60.52 -34.83 74.69 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -178.326 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 21.5 t . . . . . 0 N--CA 1.467 0.423 0 N-CA-C 114.395 1.257 . . . . 0.0 114.395 -176.528 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.263 0 CA-C-O 120.771 0.32 . . . . 0.0 110.414 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.445 ' HA ' ' HA ' ' A' ' 79' ' ' ALA . 3.9 mp -111.12 140.88 45.3 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.273 0.558 . . . . 0.0 111.859 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.434 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 35.2 t -39.94 158.08 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.115 -0.948 . . . . 0.0 111.631 -179.674 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 29.6 p -125.0 39.4 3.99 Favored 'General case' 0 CA--C 1.529 0.144 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 -179.235 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 54.2 mt -130.44 139.73 50.57 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 178.261 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 43.9 mtp180 -110.85 126.39 54.61 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.894 0.378 . . . . 0.0 111.092 -179.511 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -102.62 108.5 19.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.806 178.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 64.88 35.63 8.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.399 -179.007 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 81.64 -6.13 66.58 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 121.007 -0.616 . . . . 0.0 113.087 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -101.48 131.76 47.45 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.058 0.456 . . . . 0.0 111.257 -179.515 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.9 tpp85 -65.18 140.92 58.81 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.996 -178.74 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.434 ' HB3' ' HB3' ' A' ' 67' ' ' CYS . 7.7 t -56.62 -62.58 1.63 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.644 179.625 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 99.4 -48.01 1.3 Allowed Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.674 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 35.5 ttt-85 -53.84 136.04 41.01 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.445 ' HA ' ' HA ' ' A' ' 66' ' ' LEU . . . -54.62 151.38 8.14 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.815 0.34 . . . . 0.0 111.525 -178.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.51 169.11 1.86 Allowed 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.481 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.415 ' N ' ' HA ' ' A' ' 112' ' ' CYS . . . -127.11 -155.44 8.84 Favored Glycine 0 C--N 1.335 0.478 0 C-N-CA 120.596 -0.811 . . . . 0.0 113.595 -179.249 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -94.59 27.25 3.09 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 112.13 0.419 . . . . 0.0 112.13 -178.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -126.83 148.05 49.99 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.888 0.375 . . . . 0.0 111.625 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 43.4 p -115.89 142.89 46.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.595 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -66.32 121.71 15.85 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.674 178.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 80.2 p -127.37 -166.17 1.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.872 0.367 . . . . 0.0 111.35 -178.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 20.6 mttp -77.22 -41.4 41.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.396 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.412 ' HD2' ' N ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -52.66 -55.99 18.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.111 179.35 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.958 HG23 HG21 ' A' ' 119' ' ' ILE . 60.1 mt -53.74 -43.73 56.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.081 179.401 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 8.4 tm0? -56.51 -48.43 77.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.931 178.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.35 -46.48 88.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.651 179.324 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.405 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 7.1 t -52.35 -50.72 61.8 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.813 178.707 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.41 HG23 ' CG2' ' A' ' 98' ' ' VAL . 72.6 mt -57.01 -41.02 76.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.234 178.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 16.3 t -62.16 -41.8 98.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.21 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 19.8 tp60 -71.67 -41.65 68.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.901 0.381 . . . . 0.0 110.155 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.405 ' HG3' ' O ' ' A' ' 92' ' ' SER . 5.2 mtpm? -66.06 -41.22 91.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.032 178.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 12.9 mttm 70.46 74.91 0.21 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.386 -0.824 . . . . 0.0 109.629 -178.534 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.41 ' CG2' HG23 ' A' ' 93' ' ' ILE . 18.2 m -132.38 166.2 29.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.303 -179.191 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 15.6 mmtm -86.45 55.38 3.53 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.489 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 50.3 mt -118.63 104.46 16.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.907 0.384 . . . . 0.0 110.404 179.214 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -127.82 154.82 44.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.456 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.61 139.16 40.52 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.901 -179.236 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -82.03 144.06 31.11 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 178.21 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.52 -22.2 20.5 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -178.755 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.5 p -60.8 -38.63 86.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.845 0.355 . . . . 0.0 111.124 -179.517 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -59.22 -170.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.682 -179.391 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -141.61 -50.06 0.4 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.347 -179.524 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' HIS . . . . . 0.414 ' HB2' ' CE2' ' A' ' 110' ' ' TYR . 18.3 p80 -80.95 174.24 11.82 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.272 -179.07 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 109' ' ' LEU . 29.9 mt -129.47 82.33 2.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.238 178.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.414 ' CE2' ' HB2' ' A' ' 108' ' ' HIS . 86.5 m-85 -141.03 113.5 8.11 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.761 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 43.7 pt -97.98 154.06 3.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.112 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' CYS . . . . . 0.415 ' HA ' ' N ' ' A' ' 81' ' ' GLY . 7.0 p -67.95 161.88 25.55 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.623 179.533 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.35 -38.12 85.8 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.08 0.467 . . . . 0.0 110.332 179.703 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -48.84 -59.43 3.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.451 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -64.16 -33.59 76.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.843 -179.289 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 16.2 ttpp -59.14 -53.0 63.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.061 0.458 . . . . 0.0 110.491 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -67.31 -37.46 83.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.092 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.526 HD23 ' O ' ' A' ' 118' ' ' LEU . 4.6 tt -64.4 -44.11 92.32 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.655 -179.274 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.958 HG21 HG23 ' A' ' 89' ' ' ILE . 60.0 mt -81.47 -45.04 20.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 -178.321 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -62.35 -32.77 73.6 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -178.52 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 74.2 m . . . . . 0 N--CA 1.45 -0.45 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 -176.696 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 58.3 mm-40 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.972 0.415 . . . . 0.0 111.543 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 57.1 mt -107.89 149.32 28.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.809 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 35.1 t -45.39 144.66 1.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.074 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.8 p -111.94 35.05 3.87 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -179.068 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.401 HD12 ' ND1' ' A' ' 115' ' ' HIS . 86.5 mt -119.36 160.95 21.3 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 178.112 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.418 ' HG2' ' HD3' ' A' ' 75' ' ' ARG . 42.6 mtp180 -129.83 122.83 29.5 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.239 -179.541 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -105.14 100.34 9.93 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 178.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 60.14 39.43 19.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.502 -179.205 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.403 ' HA2' ' NH2' ' A' ' 70' ' ' ARG . . . 89.14 -3.79 84.43 Favored Glycine 0 CA--C 1.519 0.315 0 C-N-CA 120.879 -0.677 . . . . 0.0 113.173 179.679 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -96.03 111.45 23.46 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 117.107 0.453 . . . . 0.0 110.971 -179.576 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.418 ' HD3' ' HG2' ' A' ' 70' ' ' ARG . 14.1 tpp85 -70.8 61.84 0.26 Allowed 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.795 -179.006 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 4.3 t 32.43 -88.88 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 179.211 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 117.57 -29.48 6.63 Favored Glycine 0 C--N 1.336 0.548 0 C-N-CA 120.419 -0.896 . . . . 0.0 113.029 -179.347 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 48.9 ttt-85 -68.86 147.47 51.66 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.755 0.312 . . . . 0.0 110.623 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.88 154.02 12.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.716 -179.422 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.68 150.19 36.36 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.254 179.163 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -106.03 -140.58 10.06 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.48 -0.867 . . . . 0.0 113.973 -178.672 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -112.23 24.59 12.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.521 -0.339 . . . . 0.0 111.534 -178.57 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.456 ' HB2' ' HD3' ' A' ' 116' ' ' LYS . . . -115.32 167.67 10.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.999 0.428 . . . . 0.0 111.554 -179.647 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 55.7 p -129.84 153.8 47.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.693 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -85.53 113.71 21.99 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.876 179.029 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 78.6 p -116.95 -169.36 1.63 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.157 0.503 . . . . 0.0 111.262 -179.246 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.64 -37.87 55.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.3 178.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? -52.79 -42.74 65.33 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.889 -0.412 . . . . 0.0 109.889 178.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.403 ' O ' HG13 ' A' ' 93' ' ' ILE . 63.2 mt -66.25 -41.27 88.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.712 178.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -56.95 -52.04 66.78 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-O 121.621 0.724 . . . . 0.0 109.299 178.467 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.8 mmtp -54.38 -48.19 71.81 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 114.627 -1.17 . . . . 0.0 109.728 178.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.407 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 27.8 t -56.84 -39.8 74.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.248 178.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 89' ' ' ILE . 89.9 mt -65.44 -45.36 93.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.292 179.271 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 13.6 t -57.54 -36.85 72.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.35 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 11.1 tp60 -72.23 -50.65 25.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.852 0.358 . . . . 0.0 110.42 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.635 ' HE2' HG23 ' A' ' 119' ' ' ILE . 16.3 mttm -59.94 -42.65 94.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.053 0.454 . . . . 0.0 110.578 179.189 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.421 ' HB2' ' O ' ' A' ' 96' ' ' LYS . 3.2 mtmt 68.9 76.87 0.23 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.616 -178.051 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 32.8 m -131.83 175.69 10.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.966 -179.385 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.95 64.38 2.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.884 0.373 . . . . 0.0 111.354 -179.571 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 45.1 mt -133.44 104.77 6.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.273 179.112 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -130.06 152.06 49.93 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.056 0.455 . . . . 0.0 110.972 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 17.4 tp -71.97 145.5 48.35 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.61 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -92.53 113.19 25.4 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 177.728 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 3.0 mmmm -75.34 -5.22 43.63 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -178.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 58.3 m -77.77 -19.36 55.21 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.625 0.25 . . . . 0.0 111.223 179.6 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -79.34 -157.38 0.13 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.699 -179.384 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.4 ptp85 -146.49 -49.3 0.2 Allowed 'General case' 0 N--CA 1.456 -0.136 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.161 -179.512 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 15.0 p80 -80.39 152.03 29.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.506 -179.382 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 79.4 mt -116.03 84.06 2.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.104 178.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -143.58 108.24 4.87 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.356 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 34.2 pt -91.68 160.86 2.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.991 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 9.4 p -76.69 155.31 33.44 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.583 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -56.4 -31.8 64.22 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.124 0.488 . . . . 0.0 110.156 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 79.8 t80 -53.87 -60.64 3.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.244 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' HIS . . . . . 0.401 ' ND1' HD12 ' A' ' 69' ' ' LEU . 16.4 m170 -65.32 -32.53 74.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.763 -179.314 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.456 ' HD3' ' HB2' ' A' ' 83' ' ' ALA . 16.4 ttpp -60.08 -52.97 63.07 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.982 0.42 . . . . 0.0 110.589 179.686 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -66.99 -41.06 87.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.895 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.464 HD23 ' O ' ' A' ' 118' ' ' LEU . 6.0 tt -59.57 -42.16 91.81 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.024 -179.008 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.635 HG23 ' HE2' ' A' ' 96' ' ' LYS . 54.1 mt -87.3 -43.99 15.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 -177.708 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -64.71 -47.25 79.03 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 -178.064 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.6 t . . . . . 0 N--CA 1.467 0.413 0 N-CA-C 114.684 1.364 . . . . 0.0 114.684 -174.969 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 44.2 mm-40 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 121.08 0.467 . . . . 0.0 111.421 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 26.2 mt -123.45 156.94 34.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.496 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 44.8 t -48.38 156.88 0.38 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.84 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 17.3 p -120.08 24.5 10.43 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.846 0.355 . . . . 0.0 111.62 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 63.8 mt -117.31 148.77 41.4 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 178.755 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.444 ' HG2' ' HD3' ' A' ' 75' ' ' ARG . 68.2 mtp180 -111.29 133.81 53.35 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.795 0.331 . . . . 0.0 111.389 -179.502 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -115.49 111.31 20.56 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.981 179.14 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 56.18 30.42 16.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.689 -179.235 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 96.85 -16.64 60.64 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.859 -0.686 . . . . 0.0 113.307 179.349 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -86.54 137.09 32.79 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.119 0.485 . . . . 0.0 111.722 -179.417 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.503 ' O ' ' N ' ' A' ' 77' ' ' GLY . 6.3 tpp85 -80.78 59.24 3.6 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.562 -178.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 7.5 t 45.15 -78.79 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 179.224 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 103.78 -15.31 52.55 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.308 -179.361 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 10.2 ttt180 -87.69 141.48 28.57 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.871 0.367 . . . . 0.0 110.576 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.53 158.49 1.78 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.69 -179.542 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -83.41 154.11 24.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.893 178.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -109.94 -106.6 3.0 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.176 -1.012 . . . . 0.0 113.891 -178.762 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -135.21 -37.74 0.78 Allowed 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -178.251 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.71 165.45 0.6 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.131 0.491 . . . . 0.0 111.875 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 96.2 p -136.2 137.3 40.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.739 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -59.8 137.71 57.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.924 179.176 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 88.4 p -144.64 -163.58 1.73 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.05 -179.128 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.3 mmtm -78.71 -36.7 43.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.497 179.023 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.47 -41.05 93.38 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.706 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.772 HG23 HG21 ' A' ' 119' ' ' ILE . 9.7 mt -69.3 -37.2 75.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 178.495 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.34 -44.99 95.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.796 178.776 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.72 -40.14 91.91 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.256 179.512 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.7 m -61.05 -44.48 97.32 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.068 178.753 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 95.6 mt -64.23 -46.17 94.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.09 179.005 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.0 -47.16 68.49 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.165 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 63.2 tp60 -66.98 -30.62 70.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.038 0.447 . . . . 0.0 110.182 179.625 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.426 ' HE2' ' HA ' ' A' ' 119' ' ' ILE . 42.4 mttp -72.57 -51.07 21.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.404 179.009 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 2.5 tptm 73.42 61.23 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.316 -178.331 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 27.4 m -117.58 167.91 10.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.411 -179.098 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 6.9 mmtp -82.09 52.94 2.09 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.236 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.405 ' HA ' ' O ' ' A' ' 70' ' ' ARG . 54.7 mt -134.73 105.34 6.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.454 179.616 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -136.98 151.24 48.77 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.891 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.5 tp -64.74 140.1 58.83 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.667 -179.653 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.421 ' HB2' ' HD2' ' A' ' 70' ' ' ARG . 43.9 t0 -101.71 147.36 26.54 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 177.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.4 ' HE3' ' HA ' ' A' ' 104' ' ' LYS . 0.1 OUTLIER -90.4 -13.56 34.72 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -178.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.4 p -64.75 -21.66 66.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.802 0.334 . . . . 0.0 110.967 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -75.41 -172.22 1.71 Allowed 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 121.091 0.472 . . . . 0.0 111.898 -179.392 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.87 -56.76 0.73 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.105 -179.671 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 28.8 p80 -80.45 151.94 29.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.935 -178.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 83.8 mt -108.13 76.42 1.04 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.684 178.725 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -140.35 124.43 17.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.044 -179.365 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 30.0 pt -103.56 166.46 2.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.009 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 9.7 p -84.23 165.19 18.57 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.419 179.513 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -63.4 -33.23 75.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.007 0.432 . . . . 0.0 110.395 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -55.56 -61.21 2.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.242 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 21.9 m170 -66.68 -36.61 82.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.61 -179.406 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 10.2 ttpp -56.28 -52.53 64.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.93 0.395 . . . . 0.0 110.31 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -65.19 -44.92 86.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.073 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.53 HD23 ' O ' ' A' ' 118' ' ' LEU . 5.2 tt -55.21 -49.64 71.42 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.832 -179.175 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.772 HG21 HG23 ' A' ' 89' ' ' ILE . 60.0 mt -78.05 -42.93 28.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 113.404 0.89 . . . . 0.0 113.404 -177.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -62.86 -30.77 71.76 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 -178.433 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.533 0.294 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 -176.626 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 . . . . . 0 N--CA 1.454 -0.245 0 CA-C-O 120.925 0.393 . . . . 0.0 110.41 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 62.6 mt -109.21 169.63 8.56 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.304 179.385 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.413 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 39.4 t -62.75 141.78 58.44 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.411 179.742 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 26.9 p -105.11 34.38 3.24 Favored 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -179.104 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 51.0 mt -114.73 164.02 14.65 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 178.483 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 25.8 mtp-105 -131.45 102.81 6.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.709 0.29 . . . . 0.0 111.056 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -92.02 102.46 15.01 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.025 179.092 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 66.55 39.46 3.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.701 -179.133 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 82.83 -13.98 39.94 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.848 -0.691 . . . . 0.0 113.14 179.676 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -85.35 129.83 34.72 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.023 0.44 . . . . 0.0 110.883 -179.458 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.496 ' O ' ' N ' ' A' ' 77' ' ' GLY . 7.5 tpp85 -82.48 63.28 6.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.371 -178.473 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.413 ' HB3' ' HB3' ' A' ' 67' ' ' CYS . 7.6 t 32.4 -83.83 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 178.609 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 104.79 -17.64 45.2 Favored Glycine 0 C--N 1.336 0.556 0 C-N-CA 120.591 -0.814 . . . . 0.0 113.014 179.644 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 32.4 ttm180 -80.5 157.72 26.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.883 0.373 . . . . 0.0 110.663 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.78 142.77 57.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.959 -179.236 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.71 154.63 41.22 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.08 179.107 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -114.17 -141.88 7.87 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.366 -0.921 . . . . 0.0 113.909 -178.807 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -93.97 -33.11 13.58 Favored 'General case' 0 C--N 1.333 -0.113 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -178.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.428 ' HB2' ' HD3' ' A' ' 116' ' ' LYS . . . -65.81 152.06 45.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.063 0.459 . . . . 0.0 111.86 -179.137 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 24.6 p -114.55 -179.19 3.56 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.143 179.294 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.479 ' CD2' HD13 ' A' ' 102' ' ' LEU . 85.2 t80 -108.11 92.13 3.94 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 178.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 86.5 p -92.6 -170.14 2.39 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.76 -178.747 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.47 -40.9 41.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.828 179.594 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.469 ' NE ' HG13 ' A' ' 89' ' ' ILE . 0.0 OUTLIER -52.91 -46.79 68.21 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.792 179.697 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.469 HG13 ' NE ' ' A' ' 88' ' ' ARG . 58.6 mt -62.31 -40.56 88.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.807 0.337 . . . . 0.0 110.104 179.633 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 11.5 tm0? -59.57 -51.4 69.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.811 179.029 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.39 -38.9 74.99 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.62 179.163 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.423 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 52.3 m -64.89 -36.42 84.29 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.891 179.047 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 96.7 mt -74.71 -29.17 22.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.018 178.85 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 47.5 t -68.75 -56.39 8.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.086 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -52.11 -24.04 6.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.888 0.375 . . . . 0.0 110.297 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' A' ' 92' ' ' SER . 33.1 mttm -89.67 -47.82 7.68 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-O 121.301 0.572 . . . . 0.0 110.044 178.541 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 70.1 81.43 0.17 Allowed 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.367 -178.587 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 28.0 m -130.04 169.01 21.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.229 -179.05 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 8.9 mttp -80.68 61.51 4.39 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.928 0.394 . . . . 0.0 111.297 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 74.4 mt -142.92 104.9 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.363 179.261 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -132.07 165.99 22.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.267 179.621 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.479 HD13 ' CD2' ' A' ' 85' ' ' PHE . 0.6 OUTLIER -82.55 120.85 26.04 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.002 0.43 . . . . 0.0 111.766 -179.71 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -61.17 112.59 2.18 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 178.281 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 14.6 mmtp -66.56 -24.38 66.35 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -179.099 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 10.4 p -58.97 -34.43 71.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.796 0.331 . . . . 0.0 111.034 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -70.92 -173.67 0.83 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.139 0.495 . . . . 0.0 112.049 -179.069 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.7 mtp180 -132.68 -59.99 0.89 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.702 -179.63 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -60.72 158.04 13.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.934 -178.834 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 71.5 mt -120.9 84.6 2.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.761 178.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -148.64 117.83 6.84 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.245 -179.571 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 34.2 pt -103.57 157.98 5.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 23.5 p -74.14 161.87 29.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.525 179.699 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.39 -33.63 75.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.022 0.439 . . . . 0.0 110.285 179.531 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -51.85 -60.95 2.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.157 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 12.1 m80 -63.19 -42.98 99.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.728 -179.175 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.428 ' HD3' ' HB2' ' A' ' 83' ' ' ALA . 7.5 ttpp -53.03 -48.93 67.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.097 0.475 . . . . 0.0 110.496 179.664 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -68.98 -37.89 79.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.157 -179.494 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.492 HD23 ' O ' ' A' ' 118' ' ' LEU . 5.2 tt -64.16 -41.07 97.3 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.684 -179.25 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 59.8 mt -84.3 -34.42 9.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 113.312 0.856 . . . . 0.0 113.312 -177.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -73.19 -34.45 65.98 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 113.328 0.862 . . . . 0.0 113.328 -178.263 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 16.4 m . . . . . 0 C--N 1.328 -0.353 0 N-CA-C 115.065 1.506 . . . . 0.0 115.065 -176.119 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 34.0 mm-40 . . . . . 0 N--CA 1.456 -0.137 0 CA-C-O 120.855 0.36 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 70.5 mt -111.87 138.38 48.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.501 179.02 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.424 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 17.5 t -44.66 138.59 3.3 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.978 179.785 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 24.6 p -102.93 37.21 2.0 Favored 'General case' 0 N--CA 1.462 0.173 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -179.029 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 67.6 mt -118.03 149.07 41.58 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 178.397 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.454 ' HG2' ' HD3' ' A' ' 75' ' ' ARG . 19.9 mtm180 -121.66 111.42 17.17 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.562 -179.432 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -96.54 108.27 20.82 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 178.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 61.08 24.14 14.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.784 -179.03 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 100.13 0.19 56.01 Favored Glycine 0 C--N 1.333 0.38 0 C-N-CA 120.884 -0.674 . . . . 0.0 113.428 179.53 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.435 ' O ' ' HA ' ' A' ' 70' ' ' ARG . 0.1 OUTLIER -98.9 121.0 40.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 117.164 0.482 . . . . 0.0 111.118 -179.555 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.572 ' O ' ' N ' ' A' ' 77' ' ' GLY . 0.0 OUTLIER -74.53 55.02 0.62 Allowed 'General case' 0 C--O 1.222 -0.345 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.549 -179.004 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.424 ' HB3' ' HB3' ' A' ' 67' ' ' CYS . 4.5 t 44.45 -69.67 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 -179.727 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.572 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 98.54 -33.83 5.75 Favored Glycine 0 N--CA 1.449 -0.475 0 N-CA-C 110.484 -1.046 . . . . 0.0 110.484 -178.811 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.424 ' HD3' ' HB2' ' A' ' 112' ' ' CYS . 13.3 ttt85 -62.82 144.15 56.85 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 114.942 -0.629 . . . . 0.0 110.142 179.227 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.17 156.37 34.28 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.45 -179.623 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.33 152.05 42.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.948 179.013 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -108.06 -125.44 5.27 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.365 -0.921 . . . . 0.0 113.964 -178.618 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -111.74 -29.33 7.74 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -178.476 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -73.6 168.15 19.9 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.153 0.501 . . . . 0.0 112.08 -178.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -126.72 171.38 11.23 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.194 179.645 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -92.88 107.69 19.42 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 178.74 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 88.2 p -112.63 -167.67 1.22 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.198 0.523 . . . . 0.0 111.875 -178.508 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.54 -44.34 24.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.099 -179.793 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? -51.76 -43.61 63.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.283 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.824 HG23 HG21 ' A' ' 119' ' ' ILE . 15.8 mt -65.07 -39.96 87.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.2 179.244 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -60.02 -52.28 66.06 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.024 0.44 . . . . 0.0 110.076 179.287 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -54.32 -44.53 72.12 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.546 179.432 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 15.2 t -54.76 -52.11 63.6 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.874 178.783 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 81.0 mt -55.77 -41.02 64.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.244 179.157 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 67.9 m -64.18 -36.25 83.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.213 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 34.7 tp60 -73.66 -33.49 64.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.901 0.381 . . . . 0.0 110.075 179.646 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.441 ' HE2' ' HA ' ' A' ' 119' ' ' ILE . 27.6 mttp -78.28 -38.43 42.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.608 178.459 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 63.58 83.44 0.16 Allowed 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.208 -0.906 . . . . 0.0 109.686 -178.6 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 28.6 m -136.04 166.11 27.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.154 -179.238 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.06 56.88 2.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.299 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 51.6 mt -129.13 121.54 54.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.476 179.238 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -146.11 152.33 39.13 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.684 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.41 ' HG ' ' N ' ' A' ' 103' ' ' ASP . 0.4 OUTLIER -66.38 137.98 57.26 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.136 0.493 . . . . 0.0 111.599 -179.681 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.41 ' N ' ' HG ' ' A' ' 102' ' ' LEU . 34.7 t0 -75.92 122.57 24.35 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 177.825 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.8 mmpt? -85.57 -1.9 57.59 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -179.225 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 81.1 p -98.71 21.46 11.35 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.79 0.329 . . . . 0.0 110.751 179.511 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -109.17 -172.41 2.04 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 121.176 0.512 . . . . 0.0 111.765 -179.237 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.45 -31.08 1.24 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.772 179.64 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 20.8 p80 -96.33 168.84 10.32 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.173 0.511 . . . . 0.0 111.961 -179.117 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 77.6 mt -134.79 72.93 1.46 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.71 178.676 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -142.88 116.75 9.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.172 -179.355 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 28.8 pt -93.17 173.72 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' CYS . . . . . 0.424 ' HB2' ' HD3' ' A' ' 78' ' ' ARG . 9.0 p -90.72 163.99 14.29 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.568 179.756 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -59.73 -34.29 72.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.96 0.409 . . . . 0.0 110.796 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -55.47 -62.83 1.42 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.669 -179.536 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 9.2 m80 -61.62 -32.72 72.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.399 -179.271 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.414 ' O ' ' HB2' ' A' ' 120' ' ' GLN . 10.6 ttpp -61.24 -54.13 48.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.908 0.385 . . . . 0.0 110.462 179.707 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ASN . . . . . 0.425 ' O ' ' HB2' ' A' ' 121' ' ' SER . 28.4 t30 -67.06 -26.22 66.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.032 -179.597 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.706 HD23 ' O ' ' A' ' 118' ' ' LEU . 3.9 tt -73.76 -41.08 62.97 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.424 -179.515 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.824 HG21 HG23 ' A' ' 89' ' ' ILE . 46.5 mt -87.31 -36.92 10.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 -178.008 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.414 ' HB2' ' O ' ' A' ' 116' ' ' LYS . 5.0 mm100 -75.11 -39.81 60.37 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 -178.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.425 ' HB2' ' O ' ' A' ' 117' ' ' ASN . 37.6 m . . . . . 0 CA--C 1.533 0.289 0 N-CA-C 115.423 1.638 . . . . 0.0 115.423 -175.457 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 . . . . . 0 CA--C 1.519 -0.216 0 CA-C-O 121.161 0.505 . . . . 0.0 111.675 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.417 ' HA ' ' HA ' ' A' ' 79' ' ' ALA . 0.2 OUTLIER -111.3 139.1 46.97 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.419 179.765 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 49.3 t -45.72 140.99 3.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.283 -0.871 . . . . 0.0 111.498 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 22.4 p -105.84 22.97 14.69 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.604 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 45.0 mt -108.48 146.34 33.33 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 178.775 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.446 ' HG2' ' HD3' ' A' ' 75' ' ' ARG . 37.1 mtp180 -114.32 131.55 56.49 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.302 -179.282 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -115.55 103.75 11.04 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.663 178.73 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 65.23 17.15 10.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.917 -178.661 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 112.57 -21.91 18.18 Favored Glycine 0 C--N 1.334 0.463 0 C-N-CA 120.695 -0.764 . . . . 0.0 113.316 179.486 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -80.34 134.64 36.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.805 0.302 . . . . 0.0 111.58 -179.385 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.535 ' O ' ' N ' ' A' ' 77' ' ' GLY . 0.0 OUTLIER -80.54 56.27 2.55 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.003 -179.417 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 4.4 t 49.32 -71.58 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 179.713 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.535 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 103.77 -36.88 4.05 Favored Glycine 0 N--CA 1.45 -0.405 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 -178.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 43.6 ttt180 -71.53 140.1 49.76 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 178.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.417 ' HA ' ' HA ' ' A' ' 66' ' ' LEU . . . -66.06 160.61 23.46 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.923 0.392 . . . . 0.0 111.573 -178.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.33 159.77 31.96 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.114 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -123.66 -120.93 2.59 Favored Glycine 0 C--N 1.332 0.33 0 C-N-CA 120.485 -0.864 . . . . 0.0 113.657 -179.178 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -108.02 -42.3 4.71 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -178.636 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.402 ' HB2' ' CD ' ' A' ' 116' ' ' LYS . . . -53.67 142.94 21.66 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.08 0.467 . . . . 0.0 111.658 -179.214 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 25.1 p -116.96 139.4 50.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.722 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -65.25 124.24 21.67 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.089 179.367 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.57 -171.22 2.35 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.92 0.39 . . . . 0.0 111.494 -179.322 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -76.75 -37.75 55.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.835 179.74 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.64 -47.4 73.55 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.017 178.807 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.582 HG23 HG21 ' A' ' 119' ' ' ILE . 67.3 mt -63.32 -35.81 73.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.007 179.012 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -64.37 -47.42 79.36 Favored 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 178.259 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -58.48 -40.8 83.74 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-N 114.336 -1.302 . . . . 0.0 110.264 178.796 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.1 m -64.99 -52.49 55.89 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.108 178.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.472 HG23 HG22 ' A' ' 98' ' ' VAL . 91.7 mt -55.96 -35.77 41.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.289 179.108 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.15 -53.13 58.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.15 -179.716 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.28 -40.04 95.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.838 0.351 . . . . 0.0 110.191 179.777 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 33.3 mtpt -67.91 -38.8 83.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.355 0.598 . . . . 0.0 109.834 178.573 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.419 ' HA ' ' HE3' ' A' ' 97' ' ' LYS . 0.0 OUTLIER 57.86 74.49 0.42 Allowed 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.585 -178.623 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.472 HG22 HG23 ' A' ' 93' ' ' ILE . 19.6 m -120.61 166.53 14.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.194 -179.114 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 5.1 mmtm -76.39 57.63 1.21 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.097 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 46.8 mt -140.52 118.04 9.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.882 0.372 . . . . 0.0 110.448 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -139.45 165.8 26.25 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.28 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.82 131.92 34.22 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.456 0.646 . . . . 0.0 112.006 -179.432 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -76.66 145.92 38.48 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.001 -1.0 . . . . 0.0 108.731 177.466 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 35.7 mttp -102.38 -23.87 13.91 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.865 0.364 . . . . 0.0 110.871 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.4 t -60.01 -16.87 34.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.177 179.041 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -84.31 -153.94 0.16 Allowed 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.613 -179.636 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.31 -54.77 0.08 Allowed 'General case' 0 C--O 1.232 0.173 0 CA-C-O 121.024 0.44 . . . . 0.0 110.718 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 23.4 p80 -68.78 151.41 46.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.894 -0.593 . . . . 0.0 112.022 -179.071 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 96.7 mt -113.23 62.7 0.64 Allowed 'General case' 0 C--O 1.231 0.12 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.407 179.245 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -128.75 122.49 30.74 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.946 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 38.9 pt -107.02 161.05 6.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 120.916 0.388 . . . . 0.0 110.928 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 20.3 p -74.5 172.5 11.88 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.427 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -72.02 -32.11 66.84 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.12 0.486 . . . . 0.0 110.115 179.691 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 47.1 t80 -50.72 -58.25 6.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.209 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 16.7 m80 -66.3 -39.87 89.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.643 -179.291 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.431 ' O ' ' HB2' ' A' ' 120' ' ' GLN . 12.6 ttpp -53.0 -50.2 64.66 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.875 0.369 . . . . 0.0 110.241 179.727 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 64.8 t-20 -69.68 -39.95 76.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.351 -179.653 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.727 HD23 ' O ' ' A' ' 118' ' ' LEU . 4.4 tt -62.34 -35.37 78.9 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.848 -179.139 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.582 HG21 HG23 ' A' ' 89' ' ' ILE . 71.6 mt -92.14 -49.42 13.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 -177.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.431 ' HB2' ' O ' ' A' ' 116' ' ' LYS . 9.8 mm-40 -52.22 -38.63 58.53 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 113.202 0.816 . . . . 0.0 113.202 -178.577 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 42.7 m . . . . . 0 CA--C 1.537 0.454 0 N-CA-C 115.344 1.609 . . . . 0.0 115.344 -175.958 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 . . . . . 0 CA--C 1.521 -0.144 0 CA-C-O 120.983 0.42 . . . . 0.0 111.35 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.75 151.32 26.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.396 179.699 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 22.4 t -46.89 148.71 1.0 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.457 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 29.8 p -117.52 13.47 14.38 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 58.3 mt -104.6 149.97 25.06 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 178.314 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.41 ' HA ' ' O ' ' A' ' 74' ' ' GLU . 14.3 mtp180 -114.59 113.9 25.0 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.821 0.343 . . . . 0.0 111.505 -179.203 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -98.54 113.87 26.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.076 179.15 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 59.57 25.92 14.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.709 -179.176 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 94.19 -1.8 67.8 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.784 -0.722 . . . . 0.0 113.153 179.62 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.41 ' O ' ' HA ' ' A' ' 70' ' ' ARG . 1.0 OUTLIER -99.93 135.15 41.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 117.196 0.498 . . . . 0.0 111.41 -179.689 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.545 ' O ' ' N ' ' A' ' 77' ' ' GLY . 4.8 tpp85 -77.54 55.75 1.34 Allowed 'General case' 0 C--O 1.226 -0.172 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.069 -179.629 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER 46.63 -70.77 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 113.817 1.043 . . . . 0.0 113.817 -179.619 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.545 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 100.33 -23.24 36.6 Favored Glycine 0 N--CA 1.45 -0.367 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 -178.746 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 45.9 ttt180 -80.93 154.42 27.01 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 178.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.22 158.62 34.87 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.025 0.441 . . . . 0.0 111.709 -178.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.02 159.26 26.28 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.063 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -112.53 -127.75 4.87 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.508 -0.853 . . . . 0.0 113.681 -179.027 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -124.08 -3.0 8.1 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 -178.355 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.501 ' HB2' ' CD ' ' A' ' 116' ' ' LYS . . . -89.44 175.73 7.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.083 0.468 . . . . 0.0 111.631 -179.528 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -136.7 145.8 45.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.648 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -78.78 112.97 16.45 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 178.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 87.9 p -119.85 -164.9 1.11 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.352 -178.718 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.7 mmmm -79.2 -44.49 21.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.137 179.319 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -51.06 -50.76 58.03 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.564 -179.503 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.546 HG23 HG21 ' A' ' 119' ' ' ILE . 69.5 mt -59.73 -39.63 80.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.346 179.544 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -60.54 -31.1 70.21 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.014 0.435 . . . . 0.0 109.835 179.02 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.6 tmtp? -75.58 -43.79 46.48 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.638 179.231 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.0 m -59.44 -32.25 70.04 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.939 178.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.467 HD11 HD13 ' A' ' 119' ' ' ILE . 79.5 mt -79.4 -47.06 22.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.853 178.798 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.5 t -51.27 -53.99 30.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.085 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -61.77 -16.04 46.3 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.755 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 45.7 mttp -92.66 -37.04 12.63 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 177.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.77 73.18 0.46 Allowed 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.459 -178.332 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 9.1 m -120.39 179.13 2.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.246 -179.403 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.17 53.11 2.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.273 -179.566 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 88.8 mt -128.71 118.27 46.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.151 179.094 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -143.18 170.1 16.36 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.745 -179.547 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 103' ' ' ASP . 22.2 tp -94.34 140.25 30.03 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.234 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.41 ' O ' ' HG ' ' A' ' 102' ' ' LEU . 7.3 t0 -88.66 162.45 16.3 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 178.557 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.8 mtmm -102.92 -13.41 16.94 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.605 -0.438 . . . . 0.0 112.115 -178.734 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 86.8 p -66.8 -32.01 73.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.754 0.311 . . . . 0.0 111.591 -179.567 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -82.22 139.44 34.25 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.938 0.399 . . . . 0.0 112.055 -178.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.11 -27.2 13.94 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.672 179.447 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 25.2 p80 -91.64 149.77 21.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.992 -178.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 73.8 mt -110.67 80.73 1.34 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.506 179.178 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -140.1 106.37 5.26 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.268 179.5 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 32.5 pt -90.56 165.42 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.95 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 21.1 p -78.82 173.5 12.45 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.45 179.589 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 63.4 t0 -73.5 -23.38 60.03 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.601 179.268 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -62.46 -61.34 2.51 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.257 -179.343 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 22.9 m170 -63.04 -28.78 70.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.439 -179.543 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.501 ' CD ' ' HB2' ' A' ' 83' ' ' ALA . 18.2 ttpp -66.13 -53.96 31.36 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.864 0.364 . . . . 0.0 110.437 179.769 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -66.21 -30.93 71.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.12 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.504 ' C ' HD23 ' A' ' 118' ' ' LEU . 6.0 tt -70.83 -52.05 22.8 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.799 -179.095 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.546 HG21 HG23 ' A' ' 89' ' ' ILE . 79.1 mt -76.55 -42.89 35.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -178.001 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.419 ' HB2' ' O ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -65.35 -32.53 74.22 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 -178.466 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 74.4 m . . . . . 0 N--CA 1.449 -0.482 0 N-CA-C 115.33 1.604 . . . . 0.0 115.33 -175.818 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 69.2 mm-40 . . . . . 0 N--CA 1.456 -0.151 0 CA-C-O 120.898 0.38 . . . . 0.0 110.683 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -117.77 152.29 35.59 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 179.773 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 53.5 t -41.27 144.97 0.27 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.516 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 20.6 p -108.33 28.84 7.92 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.933 0.397 . . . . 0.0 111.527 -179.57 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 30.2 mt -130.49 161.4 31.52 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.666 178.851 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.487 ' HD2' ' HD3' ' A' ' 75' ' ' ARG . 6.2 mtm180 -127.55 117.94 23.02 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.701 0.286 . . . . 0.0 110.833 179.711 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -94.78 122.0 36.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.905 0.383 . . . . 0.0 110.001 179.156 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 54.26 30.81 13.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.736 -179.25 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 92.0 -12.26 69.98 Favored Glycine 0 CA--C 1.519 0.338 0 C-N-CA 120.784 -0.722 . . . . 0.0 113.24 179.448 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -91.81 139.11 30.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.885 0.343 . . . . 0.0 111.431 -179.606 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.487 ' HD3' ' HD2' ' A' ' 70' ' ' ARG . 1.6 tpp85 -75.36 59.99 1.1 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.518 -179.139 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 6.9 t 47.39 -78.58 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 113.318 0.859 . . . . 0.0 113.318 179.238 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 113.94 -23.93 12.42 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.622 -0.799 . . . . 0.0 111.763 -178.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 45.6 mtt-85 -88.81 148.62 23.81 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 179.194 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.11 157.92 37.36 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.013 0.435 . . . . 0.0 111.969 -178.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.39 155.45 18.06 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.017 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -109.36 -114.21 3.66 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.513 -0.851 . . . . 0.0 113.548 -179.174 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -133.32 -33.63 1.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.454 0.538 . . . . 0.0 112.454 -178.523 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.42 175.83 0.71 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.041 0.448 . . . . 0.0 112.096 -179.29 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.0 p -130.24 161.72 30.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.427 179.591 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -91.19 108.1 19.65 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.115 179.432 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 62.0 p -112.68 -164.33 0.91 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.098 -179.539 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.0 tppp? -79.27 -42.71 25.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.277 178.56 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -53.01 -37.55 61.58 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.808 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.756 HG23 HG21 ' A' ' 119' ' ' ILE . 8.3 mt -70.14 -48.14 63.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 178.74 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.12 -43.77 70.75 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.552 0.691 . . . . 0.0 109.493 178.702 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.3 mmtp -66.2 -42.9 88.17 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 114.888 -1.051 . . . . 0.0 110.152 179.061 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 28.1 t -59.22 -32.27 69.8 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.321 179.282 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 70.7 mt -79.97 -39.79 19.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.388 179.423 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.0 m -61.82 -37.83 85.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.265 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -70.65 -36.98 73.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.886 0.374 . . . . 0.0 110.25 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 29.3 mttp -73.49 -45.98 50.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.271 0.558 . . . . 0.0 110.135 178.544 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 73.83 75.89 0.13 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.366 -178.446 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 23.8 m -128.37 166.57 25.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.119 -179.287 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 10.6 mttp -80.19 63.66 4.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.324 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 74.0 mt -135.37 105.1 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.398 179.208 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -127.58 153.91 45.83 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.429 179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.06 124.67 28.32 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.994 0.426 . . . . 0.0 111.83 -179.459 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -65.46 154.07 39.54 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 177.686 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.4 mtpp -105.17 -18.58 14.09 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.642 -0.423 . . . . 0.0 111.604 -179.312 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 47.3 p -74.13 -6.96 50.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.627 -0.261 . . . . 0.0 111.354 179.541 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -61.43 -176.62 0.08 Allowed 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 121.219 0.533 . . . . 0.0 112.109 -179.221 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 8.3 mtm180 -148.14 20.31 1.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.398 179.587 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 33.6 p80 -168.41 169.27 10.7 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.799 -179.188 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 88.3 mt -123.24 77.64 1.5 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.101 179.126 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -141.2 106.59 5.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.338 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 43.9 pt -87.12 159.57 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.942 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 25.1 p -76.39 165.7 24.47 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.689 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -63.38 -39.91 95.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.186 179.271 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -48.23 -61.48 1.97 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.566 -179.356 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 22.6 m170 -66.95 -34.17 77.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.801 -179.203 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 6.7 ttpp -55.87 -50.64 70.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.023 0.439 . . . . 0.0 110.709 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 49.6 t-20 -70.25 -41.49 73.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.392 -179.438 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 10.5 tt -60.14 -40.23 89.1 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.821 -179.359 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.756 HG21 HG23 ' A' ' 89' ' ' ILE . 50.0 mt -83.92 -43.88 17.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 -178.224 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -69.19 -35.67 76.49 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 -178.643 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 95.5 p . . . . . 0 N--CA 1.467 0.382 0 N-CA-C 114.463 1.283 . . . . 0.0 114.463 -176.203 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 72.1 mm-40 . . . . . 0 N--CA 1.461 0.125 0 CA-C-O 121.166 0.508 . . . . 0.0 111.961 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 64.7 mt -108.86 155.99 20.18 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.642 179.558 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 32.0 t -60.16 149.81 31.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.893 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 61.3 m -117.51 39.92 3.19 Favored 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -179.238 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 54.8 mt -122.18 158.45 29.36 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 178.239 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.414 ' O ' ' HA ' ' A' ' 100' ' ' ILE . 49.8 mtm180 -129.75 129.42 44.12 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.46 -0.337 . . . . 0.0 111.172 -179.549 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -105.01 107.01 17.76 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.997 178.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 39.9 t0 64.23 30.74 13.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.607 -179.205 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 96.96 -29.72 10.16 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.882 -0.675 . . . . 0.0 113.14 179.388 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -78.12 139.31 39.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.027 0.441 . . . . 0.0 111.643 -179.424 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.2 tpp85 -76.12 146.53 39.21 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.907 -179.078 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 47.6 t -65.22 -83.84 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.618 179.672 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 110.99 -30.99 7.58 Favored Glycine 0 C--N 1.333 0.376 0 C-N-CA 120.326 -0.94 . . . . 0.0 113.181 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 37.4 ttt85 -59.79 144.43 48.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.729 0.3 . . . . 0.0 110.71 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.409 ' O ' ' HB3' ' A' ' 112' ' ' CYS . . . -52.14 156.09 1.73 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.439 -179.727 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.99 162.42 28.6 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.375 179.27 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -115.4 -134.0 5.49 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.294 -0.955 . . . . 0.0 113.975 -178.8 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -111.65 -20.2 12.21 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 111.852 0.316 . . . . 0.0 111.852 -178.334 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.414 ' CB ' ' HG3' ' A' ' 116' ' ' LYS . . . -80.7 168.8 18.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.109 0.48 . . . . 0.0 111.673 -179.382 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.2 m -133.51 145.28 50.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.638 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -63.73 131.15 46.98 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 178.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 61.1 p -142.18 -176.84 4.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.138 0.494 . . . . 0.0 111.719 -179.095 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.1 mmmm -72.39 -42.09 65.59 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.903 179.445 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -52.76 -43.94 66.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.951 179.149 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.743 HG23 HG21 ' A' ' 119' ' ' ILE . 9.7 mt -65.32 -39.09 84.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.137 179.22 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -58.35 -40.77 83.11 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 178.794 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.2 tptm -63.98 -50.34 68.94 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.567 178.55 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 9.6 t -52.78 -36.68 58.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.248 179.295 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 96.5 mt -74.44 -42.99 49.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.484 179.304 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 6.9 t -57.55 -39.38 76.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.11 -179.588 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -69.78 -40.48 76.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.018 0.437 . . . . 0.0 110.151 179.601 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.443 ' O ' ' HB2' ' A' ' 97' ' ' LYS . 23.8 mtpp -67.24 -42.4 84.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.502 179.201 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.443 ' HB2' ' O ' ' A' ' 96' ' ' LYS . 9.5 mmtt 68.06 57.0 0.51 Allowed 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.647 -178.453 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 20.7 m -106.74 160.07 6.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.468 -179.404 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 4.3 mmtm -77.67 55.32 1.32 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.406 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.414 ' HA ' ' O ' ' A' ' 70' ' ' ARG . 61.7 mt -125.84 123.48 64.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.883 0.373 . . . . 0.0 110.477 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -142.87 145.06 32.76 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.612 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.7 tp -68.44 134.78 50.68 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.087 -0.506 . . . . 0.0 112.0 -179.357 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 52.9 t0 -86.79 122.05 30.13 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 177.75 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.4 mtpp -79.64 -13.47 59.47 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -178.531 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 40.3 p -82.7 9.56 9.37 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-O 120.57 0.224 . . . . 0.0 111.185 179.342 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -78.48 -135.52 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 116.719 -0.219 . . . . 0.0 111.429 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 12.4 tpp85 -161.49 -62.28 0.05 Allowed 'General case' 0 C--N 1.34 0.164 0 CA-C-O 121.236 0.541 . . . . 0.0 110.428 -179.607 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 18.3 p80 -94.86 -177.94 4.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.721 -178.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 85.3 mt -133.14 69.27 1.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.07 179.231 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -140.48 95.85 2.94 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.065 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 40.8 pt -73.68 169.89 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.131 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' CYS . . . . . 0.409 ' HB3' ' O ' ' A' ' 79' ' ' ALA . 8.7 p -80.34 169.21 18.05 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.585 179.614 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -68.41 -39.78 81.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.179 0.514 . . . . 0.0 110.153 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -50.24 -61.46 2.15 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.46 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 10.5 m170 -64.88 -36.04 83.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.829 -179.285 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.414 ' HG3' ' CB ' ' A' ' 83' ' ' ALA . 8.3 ttpp -55.48 -53.75 52.43 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.046 0.451 . . . . 0.0 110.528 179.712 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -64.75 -42.53 95.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.621 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.517 HD23 ' O ' ' A' ' 118' ' ' LEU . 3.2 tt -57.28 -41.9 80.61 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.875 -178.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.743 HG21 HG23 ' A' ' 89' ' ' ILE . 49.5 mt -81.99 -43.83 19.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 -178.021 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -73.94 -34.02 64.15 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 113.475 0.917 . . . . 0.0 113.475 -178.594 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 5.7 t . . . . . 0 C--N 1.329 -0.302 0 N-CA-C 114.54 1.311 . . . . 0.0 114.54 -175.99 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.417 ' O ' ' HA ' ' A' ' 79' ' ' ALA . 10.4 mm100 . . . . . 0 CA--C 1.522 -0.13 0 CA-C-O 120.784 0.326 . . . . 0.0 111.2 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 37.6 mt -118.14 152.61 35.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.713 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 48.6 t -45.95 151.2 0.49 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.955 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 31.3 p -113.84 23.71 12.77 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -179.448 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 96.8 mt -104.61 150.93 24.24 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 178.394 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 78.7 mtp180 -117.6 119.55 35.33 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.781 0.324 . . . . 0.0 111.045 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -96.08 113.26 24.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.876 179.026 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 58.23 24.15 11.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.456 -178.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 96.57 -6.55 65.3 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.879 -0.677 . . . . 0.0 113.156 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -95.58 126.04 40.59 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.16 0.505 . . . . 0.0 111.302 -179.544 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.6 tpp85 -65.84 115.1 5.6 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.556 -0.747 . . . . 0.0 112.26 -178.64 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 51.4 t -55.08 114.07 1.62 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.228 179.083 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -94.72 55.17 1.95 Allowed Glycine 0 CA--C 1.519 0.293 0 C-N-CA 120.673 -0.775 . . . . 0.0 113.329 -179.124 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 55.0 ttt85 -127.93 146.56 50.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.757 0.313 . . . . 0.0 110.533 179.197 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.417 ' HA ' ' O ' ' A' ' 65' ' ' GLN . . . -55.68 135.92 51.0 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.935 -179.31 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.21 147.17 48.53 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.099 179.095 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -96.17 -130.38 6.36 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.559 -0.829 . . . . 0.0 113.851 -178.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -121.19 -12.83 8.62 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 -178.66 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.441 ' HB2' ' HD2' ' A' ' 116' ' ' LYS . . . -71.53 171.12 11.94 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.939 0.4 . . . . 0.0 111.461 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 69.9 p -139.74 125.26 19.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.944 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -51.67 137.04 26.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.093 179.285 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -144.56 -158.75 0.91 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.795 -179.255 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.1 mttp -80.32 -51.58 8.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 112.094 178.62 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 5.6 tmm_? -51.17 -36.89 43.35 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.968 -179.136 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.597 HG23 HG21 ' A' ' 119' ' ' ILE . 47.9 mt -69.34 -39.04 78.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 179.077 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.99 -49.16 78.57 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 178.337 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.439 ' HA ' ' HE3' ' A' ' 91' ' ' LYS . 0.0 OUTLIER -59.63 -38.14 80.54 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 114.928 -1.033 . . . . 0.0 110.074 179.384 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.425 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 41.2 t -62.09 -50.69 70.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.82 178.861 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 88.4 mt -58.36 -40.83 79.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.452 179.305 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 73.4 m -62.51 -36.64 83.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.065 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 9.0 tp60 -70.55 -25.05 62.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.893 0.377 . . . . 0.0 110.198 179.505 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.438 ' HE3' ' HA ' ' A' ' 119' ' ' ILE . 32.7 mttm -82.7 -41.86 18.79 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.405 178.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.433 ' HB2' ' O ' ' A' ' 96' ' ' LYS . 0.1 OUTLIER 72.6 69.83 0.13 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.298 -0.865 . . . . 0.0 109.322 -177.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 33.7 m -132.46 172.62 16.09 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.374 -179.167 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 16.1 mmtm -93.95 66.93 3.67 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.458 -179.606 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 54.1 mt -138.38 98.3 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.359 179.244 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -123.42 175.08 6.95 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.876 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 33.6 tp -89.86 136.29 33.13 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.292 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -80.59 155.15 27.04 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 178.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 8.5 mttm -104.12 -24.23 13.2 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 120.368 -0.533 . . . . 0.0 111.51 -179.262 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 7.8 p -70.94 -16.82 62.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.648 0.261 . . . . 0.0 110.937 179.467 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -66.06 -165.78 0.03 OUTLIER 'General case' 0 C--O 1.231 0.091 0 CA-C-O 120.96 0.41 . . . . 0.0 111.757 -179.612 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.1 -67.42 0.39 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.886 -179.812 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 27.4 p80 -74.86 153.8 38.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.956 -179.06 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 93.9 mt -111.05 77.99 1.08 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.593 179.439 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -142.75 129.55 20.48 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.267 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 19.1 pt -105.11 168.11 2.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.984 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 14.0 p -84.53 167.79 16.02 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.666 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.33 -31.42 72.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.072 0.463 . . . . 0.0 110.267 179.679 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 58.1 t80 -56.63 -61.99 2.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.457 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 19.7 m80 -65.98 -39.28 90.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.527 -179.133 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.441 ' HD2' ' HB2' ' A' ' 83' ' ' ALA . 0.6 OUTLIER -54.2 -44.63 71.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.985 0.421 . . . . 0.0 110.449 179.801 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -73.82 -37.5 64.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.937 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.454 HD23 ' O ' ' A' ' 118' ' ' LEU . 7.5 tt -61.67 -37.33 83.71 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.558 -179.381 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.597 HG21 HG23 ' A' ' 89' ' ' ILE . 53.5 mt -90.23 -53.56 8.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 -177.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -61.17 -30.83 70.64 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 -178.247 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 N-CA-C 114.5 1.296 . . . . 0.0 114.5 -176.294 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 . . . . . 0 CA--C 1.518 -0.267 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.416 ' HA ' ' HA ' ' A' ' 79' ' ' ALA . 4.1 mp -117.44 137.63 52.38 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-O 121.395 0.617 . . . . 0.0 112.317 179.785 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 24.6 t -45.25 142.72 1.94 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 114.926 -1.034 . . . . 0.0 111.404 -179.675 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 20.5 p -106.31 11.49 30.98 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.831 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.46 HD23 ' HA ' ' A' ' 102' ' ' LEU . 53.6 mt -98.97 162.9 12.82 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.86 0.362 . . . . 0.0 110.174 178.123 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.454 ' HG2' ' HD3' ' A' ' 75' ' ' ARG . 35.7 mtp180 -122.54 143.09 49.95 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.812 -179.732 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -124.45 110.61 14.73 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.068 179.061 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 59.04 25.18 13.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.663 -179.177 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 102.22 -10.07 56.51 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.787 -0.72 . . . . 0.0 113.245 179.586 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.409 ' OE1' ' HA ' ' A' ' 74' ' ' GLU . 3.7 mm-40 -94.55 135.25 36.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 117.025 0.412 . . . . 0.0 111.472 -179.701 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.517 ' O ' ' N ' ' A' ' 77' ' ' GLY . 0.5 OUTLIER -78.62 58.89 2.35 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.473 -179.327 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 3.8 t 44.73 -76.94 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 179.1 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 105.23 -37.4 3.83 Favored Glycine 0 N--CA 1.451 -0.361 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -178.686 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 31.7 ttt180 -65.43 150.39 48.42 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 178.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.416 ' HA ' ' HA ' ' A' ' 66' ' ' LEU . . . -71.52 162.69 29.05 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.295 -179.128 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -80.76 146.29 31.07 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.301 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -111.78 -142.54 8.83 Favored Glycine 0 C--N 1.334 0.428 0 C-N-CA 120.737 -0.744 . . . . 0.0 113.995 -179.013 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -97.11 24.21 6.56 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -178.661 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.762 ' HB2' ' HD3' ' A' ' 116' ' ' LYS . . . -113.4 153.16 29.04 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.026 0.441 . . . . 0.0 111.525 -179.753 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 69.2 p -122.99 152.31 41.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.604 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -90.7 116.48 28.6 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.011 179.239 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 96.5 p -118.3 -168.09 1.47 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.032 -179.386 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.14 -34.2 49.95 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.869 178.39 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.28 -46.53 83.03 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 120.774 0.321 . . . . 0.0 110.619 179.68 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.734 HG23 HG21 ' A' ' 119' ' ' ILE . 87.5 mt -65.55 -33.81 66.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.085 0.469 . . . . 0.0 110.046 179.028 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.27 -48.5 75.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.485 0.659 . . . . 0.0 109.523 178.767 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.13 -43.24 99.19 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.714 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.5 m -59.14 -49.84 76.32 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 178.456 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.402 ' HA ' ' HD3' ' A' ' 96' ' ' LYS . 57.0 mt -56.92 -35.83 48.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.736 178.688 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 40.8 m -62.96 -43.31 99.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.958 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -68.92 -35.12 76.45 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.133 0.492 . . . . 0.0 109.993 179.584 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.402 ' HD3' ' HA ' ' A' ' 93' ' ' ILE . 26.0 mtpt -73.68 -33.97 64.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.905 178.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 55.42 59.94 3.64 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.402 -178.689 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 31.3 m -108.12 172.85 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.378 -179.278 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 23.6 mtmm -85.63 58.84 5.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.049 0.452 . . . . 0.0 111.399 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 64.7 mt -138.06 125.75 29.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.045 179.034 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -153.09 149.75 28.41 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.785 -179.411 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.692 HD12 ' H ' ' A' ' 103' ' ' ASP . 32.0 tp -60.55 142.97 54.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.294 0.568 . . . . 0.0 112.023 -179.313 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.692 ' H ' HD12 ' A' ' 102' ' ' LEU . 41.4 t0 -99.87 137.01 38.93 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 177.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 38.0 mmtm -96.29 -20.33 18.61 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -178.6 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 82.8 p -55.22 -21.31 13.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.667 0.27 . . . . 0.0 111.229 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -75.26 175.13 8.63 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.23 0.538 . . . . 0.0 112.211 -179.253 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.12 -27.04 8.53 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.498 179.544 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 11.6 p80 -125.58 176.64 6.72 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.405 -179.272 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 94.6 mt -101.07 -121.46 0.16 Allowed 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.411 178.77 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 63.04 119.97 0.02 OUTLIER 'General case' 0 N--CA 1.456 -0.174 0 CA-C-O 121.134 0.492 . . . . 0.0 111.687 179.316 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 28.0 pt -113.25 156.47 14.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.292 179.299 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 17.4 p -73.51 165.6 24.77 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.722 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -66.16 -27.8 68.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.307 179.499 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 93.6 t80 -56.53 -61.68 2.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.539 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 24.3 m170 -65.2 -36.44 84.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.619 -179.24 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.762 ' HD3' ' HB2' ' A' ' 83' ' ' ALA . 9.5 ttpp -56.84 -53.11 61.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.001 0.429 . . . . 0.0 110.543 179.786 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -66.44 -43.22 86.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.199 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.431 HD23 ' O ' ' A' ' 118' ' ' LEU . 6.7 tt -58.6 -44.21 89.79 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.779 -179.263 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.734 HG21 HG23 ' A' ' 89' ' ' ILE . 74.8 mt -78.13 -53.22 14.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 113.14 0.793 . . . . 0.0 113.14 -178.078 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -57.68 -41.12 80.93 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 -178.403 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 82.9 p . . . . . 0 N--CA 1.467 0.414 0 N-CA-C 114.48 1.289 . . . . 0.0 114.48 -175.968 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.961 0.41 . . . . 0.0 111.065 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 16.6 mt -121.47 160.11 24.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.537 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 43.7 t -63.39 158.5 20.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.615 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 88.7 m -121.66 36.09 4.71 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -178.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 77.3 mt -121.12 152.05 39.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.701 0.286 . . . . 0.0 110.305 178.197 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 50.6 mtp85 -123.53 121.58 36.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.064 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -103.63 118.49 36.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.249 179.181 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 54.9 49.86 16.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.687 -179.371 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 64.42 10.56 43.27 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.934 -0.65 . . . . 0.0 113.077 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -114.1 125.62 54.18 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 121.033 0.444 . . . . 0.0 111.021 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.5 tpt180 -66.6 134.21 51.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.649 -0.705 . . . . 0.0 112.083 -178.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 42.5 t -52.7 -68.51 0.16 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.594 179.399 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 85.51 -12.44 58.92 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.689 -0.767 . . . . 0.0 113.206 179.462 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 58.1 ttt85 -71.8 141.85 49.67 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.853 0.359 . . . . 0.0 110.641 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.02 134.69 43.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.775 -179.446 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.83 155.01 28.11 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.008 179.074 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -113.12 -112.5 3.11 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.21 -0.995 . . . . 0.0 113.805 -178.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -126.21 -17.39 5.24 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -178.45 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -83.68 162.12 20.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.156 0.503 . . . . 0.0 112.078 -178.822 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 83.0 p -124.41 157.53 34.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.448 179.481 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -80.52 122.39 26.97 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.739 179.3 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 54.4 p -128.6 -169.07 2.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.205 0.526 . . . . 0.0 111.635 -179.07 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 29.7 mttp -78.04 -39.8 40.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.381 179.159 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.475 ' NE ' HG13 ' A' ' 89' ' ' ILE . 0.0 OUTLIER -53.32 -42.96 67.23 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.324 179.588 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.875 HG23 HG21 ' A' ' 119' ' ' ILE . 14.6 mt -69.48 -32.23 52.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.132 179.172 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.85 -46.39 85.24 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 178.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.2 tptp -64.3 -43.37 94.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.481 178.631 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 13.6 t -56.38 -42.34 77.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.163 179.193 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 63.0 mt -68.58 -47.14 78.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.431 179.307 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 9.9 t -56.73 -37.57 71.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.036 -179.682 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -70.2 -41.06 74.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.989 0.423 . . . . 0.0 109.954 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.3 mtpm? -69.32 -35.06 75.57 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.425 179.103 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 17.1 mmtp 65.38 80.37 0.23 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.62 -178.555 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 17.1 m -141.31 171.2 12.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.089 -179.448 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.8 mttp -90.02 70.42 7.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.152 0.501 . . . . 0.0 111.459 -179.496 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 61.3 mt -137.8 118.5 16.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.199 179.234 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -148.51 172.33 14.67 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.611 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 41.9 tp -85.52 144.93 27.64 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.631 -179.454 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -99.84 127.91 45.97 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 178.432 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 5.6 mmtp -75.13 -3.08 30.71 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -178.537 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 51.8 p -79.8 -21.1 44.7 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 121.106 -0.237 . . . . 0.0 111.115 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -77.98 -163.53 0.43 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.873 0.368 . . . . 0.0 111.744 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -141.87 -73.53 0.31 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.331 -179.479 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -66.44 166.27 12.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.619 -178.71 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 23.7 mt -116.94 82.73 1.85 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.708 178.424 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -144.07 113.24 6.86 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.303 -179.184 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 25.8 pt -98.56 156.48 3.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.171 -179.605 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 21.5 p -69.08 164.17 23.1 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.464 179.531 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -64.91 -40.21 94.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.051 0.453 . . . . 0.0 110.594 179.576 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -47.7 -60.29 2.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.14 -179.584 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -61.81 -42.37 98.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.632 -179.549 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 10.0 ttpp -50.7 -47.63 58.94 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.103 0.478 . . . . 0.0 110.612 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -68.72 -46.4 69.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.186 -179.45 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.64 HD23 ' O ' ' A' ' 118' ' ' LEU . 6.7 tt -55.91 -38.29 70.05 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.773 -179.453 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.875 HG21 HG23 ' A' ' 89' ' ' ILE . 57.6 mt -87.85 -55.05 6.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 113.515 0.932 . . . . 0.0 113.515 -177.771 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -61.24 -44.47 97.2 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 114.045 1.128 . . . . 0.0 114.045 -177.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 8.2 t . . . . . 0 N--CA 1.467 0.422 0 N-CA-C 114.663 1.357 . . . . 0.0 114.663 -176.071 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.781 0.324 . . . . 0.0 110.751 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 19.7 mt -127.48 147.35 50.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.615 179.596 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.423 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 20.1 t -54.18 142.59 25.31 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.665 179.649 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 94.0 m -106.7 36.89 2.48 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 112.095 0.405 . . . . 0.0 112.095 -179.002 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.413 HD11 HG21 ' A' ' 111' ' ' ILE . 40.3 mt -128.63 160.37 32.66 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 178.487 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 64.4 mtp85 -129.09 125.57 37.47 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.871 0.367 . . . . 0.0 111.127 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.406 ' O ' ' HB2' ' A' ' 72' ' ' ASP . 31.8 tt0 -105.61 112.8 26.02 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.857 179.037 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.406 ' HB2' ' O ' ' A' ' 71' ' ' GLU . 0.6 OUTLIER 68.39 41.87 1.73 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.699 -179.037 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 66.29 7.59 39.73 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.941 -0.647 . . . . 0.0 113.011 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -118.1 130.74 56.31 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.912 0.386 . . . . 0.0 110.431 -179.47 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.7 tpt180 -54.75 141.06 33.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.992 -0.549 . . . . 0.0 112.172 -178.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.423 ' HB3' ' HB3' ' A' ' 67' ' ' CYS . 6.8 t -58.75 -57.47 12.88 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.458 179.491 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 86.96 -15.79 51.08 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.86 -0.686 . . . . 0.0 113.128 179.448 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.402 ' HD3' ' HB2' ' A' ' 112' ' ' CYS . 49.4 ttt85 -80.65 131.57 35.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.769 0.319 . . . . 0.0 110.593 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.416 ' O ' ' HB3' ' A' ' 112' ' ' CYS . . . -47.31 153.0 0.54 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.612 -179.647 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.88 155.37 40.66 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.208 179.288 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -104.52 -112.27 3.69 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.349 -0.929 . . . . 0.0 113.73 -178.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -128.91 -37.59 1.71 Allowed 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 -178.512 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.11 171.88 5.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.235 0.54 . . . . 0.0 112.114 -178.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 96.1 p -134.63 143.9 47.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.697 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -63.81 130.25 43.39 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.004 179.312 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 60.6 p -136.08 -164.1 1.5 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.063 0.459 . . . . 0.0 111.28 -179.153 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.8 mttp -78.89 -47.34 16.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.976 178.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.68 -40.42 62.89 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.505 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.708 HG23 HG21 ' A' ' 119' ' ' ILE . 47.3 mt -68.68 -31.95 53.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.022 0.439 . . . . 0.0 110.075 178.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.67 -39.13 84.51 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.401 178.695 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 22.3 tptp -66.03 -47.67 73.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.619 178.822 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.44 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 43.3 t -55.78 -46.18 77.99 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.764 178.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 78.1 mt -65.35 -36.37 77.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.352 179.232 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 24.5 t -64.86 -40.46 95.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.309 -179.417 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -73.52 -43.32 60.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.756 0.312 . . . . 0.0 110.336 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.44 ' HG3' ' O ' ' A' ' 92' ' ' SER . 16.1 mtpp -64.92 -31.1 72.17 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.154 0.502 . . . . 0.0 109.674 178.645 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 3.3 mmtt 55.89 80.34 0.14 Allowed 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.973 -178.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 15.7 m -128.74 172.12 15.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.856 -179.504 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 23.0 mttp -90.52 60.24 4.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.02 0.438 . . . . 0.0 111.349 -179.675 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 68.3 mt -128.17 112.87 28.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.049 179.081 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -130.68 160.4 34.37 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.812 -179.639 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -85.24 123.58 30.89 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.75 -179.306 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -76.17 109.43 9.83 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 178.827 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 22.7 mttp -67.82 -7.88 31.42 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.512 0.56 . . . . 0.0 112.512 -178.293 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 87.8 p -70.6 -30.76 67.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.881 0.372 . . . . 0.0 110.662 179.516 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -69.37 -170.7 0.29 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.995 -179.265 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -131.21 -79.17 0.52 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.404 -179.594 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 28.9 p80 -54.54 160.42 1.78 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.134 0.492 . . . . 0.0 111.659 -179.192 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 85.9 mt -116.27 81.41 1.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.343 179.215 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -144.61 119.43 9.89 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.498 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.413 HG21 HD11 ' A' ' 69' ' ' LEU . 44.2 pt -100.09 158.82 3.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.985 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' CYS . . . . . 0.416 ' HB3' ' O ' ' A' ' 79' ' ' ALA . 7.9 p -70.51 168.14 16.88 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.686 179.658 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -67.41 -31.12 71.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.22 0.533 . . . . 0.0 110.181 179.6 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.403 ' O ' ' HB2' ' A' ' 118' ' ' LEU . 55.6 t80 -54.37 -57.64 10.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.102 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 16.7 m170 -70.68 -35.89 73.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.733 -179.432 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.415 ' O ' ' HB2' ' A' ' 120' ' ' GLN . 15.7 ttpp -55.55 -53.22 59.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.916 0.389 . . . . 0.0 110.432 179.665 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -70.34 -37.38 74.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.356 -179.402 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.635 HD23 ' O ' ' A' ' 118' ' ' LEU . 5.4 tt -63.12 -34.24 77.19 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.754 -179.227 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.708 HG21 HG23 ' A' ' 89' ' ' ILE . 62.6 mt -95.09 -44.48 13.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 113.296 0.85 . . . . 0.0 113.296 -177.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.415 ' HB2' ' O ' ' A' ' 116' ' ' LYS . 8.8 mt-30 -57.86 -42.22 84.04 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 -178.538 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 8.0 t . . . . . 0 C--N 1.327 -0.402 0 N-CA-C 114.593 1.331 . . . . 0.0 114.593 -175.579 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 67.4 mm-40 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 121.214 0.531 . . . . 0.0 112.287 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 40.0 mt -111.14 147.27 35.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.435 179.494 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 51.3 t -45.95 160.76 0.06 Allowed 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.012 179.887 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 28.8 p -127.84 34.48 4.62 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -179.628 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 95.9 mt -117.59 161.37 19.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.72 0.295 . . . . 0.0 110.431 177.647 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 24.7 mtp180 -120.99 106.57 11.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.122 -179.731 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -84.83 110.45 18.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.293 -0.412 . . . . 0.0 109.977 179.26 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 64.84 44.2 3.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.628 -179.172 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 67.63 5.51 37.91 Favored Glycine 0 CA--C 1.52 0.347 0 C-N-CA 120.943 -0.646 . . . . 0.0 113.013 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -117.2 125.31 50.98 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-O 121.013 0.435 . . . . 0.0 110.907 -179.496 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.6 tpp85 -42.88 157.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.949 -179.233 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 30.7 t -85.66 -71.46 0.53 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.23 179.304 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 99.42 -41.44 2.19 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.926 179.494 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 57.5 ttt85 -47.3 140.03 5.83 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.845 0.355 . . . . 0.0 110.975 179.942 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.13 160.77 0.71 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.566 -179.523 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -96.18 150.38 20.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.064 179.01 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -106.02 -104.91 2.98 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.34 -0.933 . . . . 0.0 113.644 -178.928 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -132.69 -9.27 3.17 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -178.763 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.447 ' HB2' ' HD3' ' A' ' 116' ' ' LYS . . . -77.0 159.97 29.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.116 0.484 . . . . 0.0 112.016 -178.733 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.5 p -133.11 136.56 45.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.475 179.597 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -70.72 132.34 45.23 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.048 179.315 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -137.42 -158.14 0.84 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.001 -179.686 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.32 -38.04 27.37 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 178.03 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -52.59 -50.37 63.17 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.041 0.448 . . . . 0.0 111.247 -179.364 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.688 HG23 HG21 ' A' ' 119' ' ' ILE . 30.1 mt -57.29 -39.76 69.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.123 -179.618 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -59.72 -44.86 93.56 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 178.814 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.8 tptm -56.7 -51.79 67.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.459 178.366 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.75 -50.45 63.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.196 179.732 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 90.9 mt -57.32 -47.02 85.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.475 179.176 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 34.9 m -57.17 -41.24 78.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.265 -179.75 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -73.71 -28.39 61.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.042 0.449 . . . . 0.0 110.423 179.568 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.446 ' O ' ' HB2' ' A' ' 97' ' ' LYS . 32.0 mttp -78.8 -46.11 19.47 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.73 179.322 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.446 ' HB2' ' O ' ' A' ' 96' ' ' LYS . 17.2 mmtt 72.7 84.6 0.12 Allowed 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.705 -178.049 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 27.6 m -146.66 161.12 9.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.991 -179.3 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.9 62.84 3.46 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.915 0.388 . . . . 0.0 111.34 -179.796 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 74.4 mt -133.37 113.13 18.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.269 179.13 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -144.72 156.54 44.12 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.048 0.451 . . . . 0.0 110.908 -179.928 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 18.1 tp -71.32 145.01 49.75 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.5 -179.929 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -92.72 138.19 31.71 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 177.719 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.24 -23.17 30.55 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 -178.406 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 77.9 p -62.47 -40.48 96.78 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.603 -179.563 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -54.24 -176.35 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.191 0.52 . . . . 0.0 112.078 -179.063 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.35 -64.83 0.92 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.863 -179.329 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 9.2 p80 -73.68 177.1 5.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.678 -179.237 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 44.5 mt -135.11 88.11 2.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.45 179.168 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -147.63 102.71 3.46 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.434 179.654 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 33.5 pt -79.1 169.27 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 -179.947 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 19.2 p -90.82 157.06 17.58 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.611 179.743 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.21 -38.76 54.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.04 0.448 . . . . 0.0 110.545 179.661 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -52.33 -62.28 1.74 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.549 -179.562 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 18.1 m170 -65.78 -33.16 75.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.423 -179.37 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.447 ' HD3' ' HB2' ' A' ' 83' ' ' ALA . 15.8 ttpp -57.36 -53.83 53.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.932 0.396 . . . . 0.0 110.442 179.579 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 24.6 t30 -68.18 -37.79 81.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.114 -179.704 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.499 HD23 ' O ' ' A' ' 118' ' ' LEU . 4.3 tt -60.61 -39.67 89.03 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.726 -179.087 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.688 HG21 HG23 ' A' ' 89' ' ' ILE . 50.9 mt -90.89 -35.32 7.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 113.309 0.855 . . . . 0.0 113.309 -177.867 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.402 ' HB2' ' O ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -68.7 -40.36 80.06 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 -178.606 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 35.1 t . . . . . 0 C--N 1.329 -0.308 0 N-CA-C 114.728 1.381 . . . . 0.0 114.728 -175.685 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.438 ' O ' HD23 ' A' ' 66' ' ' LEU . 21.6 mt-30 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.901 0.382 . . . . 0.0 111.248 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.438 HD23 ' O ' ' A' ' 65' ' ' GLN . 13.1 mt -135.61 146.94 48.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.715 -179.793 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 48.0 t -45.47 140.17 3.33 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.138 179.744 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.403 ' SG ' ' HB1' ' A' ' 106' ' ' ALA . 1.3 m -107.37 25.59 11.25 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -178.786 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 94.5 mt -107.62 154.99 20.64 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 178.333 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.502 ' HG2' ' HD2' ' A' ' 75' ' ' ARG . 61.0 mtp180 -118.24 112.47 20.14 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.815 0.34 . . . . 0.0 111.386 -179.655 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -100.46 94.72 6.3 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 178.756 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 72.72 42.23 0.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.443 -179.017 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 77.24 -2.37 61.8 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.854 -0.688 . . . . 0.0 113.138 179.832 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -96.8 120.82 37.85 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 121.054 0.454 . . . . 0.0 111.325 -179.622 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.502 ' HD2' ' HG2' ' A' ' 70' ' ' ARG . 8.7 mmm180 -71.28 61.01 0.3 Allowed 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.882 -179.23 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 10.9 t 29.86 -92.55 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 179.331 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 123.34 -35.21 3.41 Favored Glycine 0 C--N 1.336 0.571 0 C-N-CA 120.403 -0.903 . . . . 0.0 113.036 -179.964 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 59.9 ttt180 -61.88 154.83 25.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.78 0.324 . . . . 0.0 110.751 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.85 149.14 50.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.798 -179.469 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.79 145.81 55.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.243 179.135 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -98.89 -119.31 4.15 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.462 -0.875 . . . . 0.0 113.813 -178.833 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -131.27 0.59 4.13 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -178.742 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -95.21 167.24 11.48 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.019 0.437 . . . . 0.0 111.658 -179.389 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.5 m -129.15 152.29 48.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.45 179.796 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -78.65 107.07 11.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.951 0.405 . . . . 0.0 109.92 179.071 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 83.0 p -115.54 -162.71 0.84 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.86 -179.214 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.63 -42.07 25.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.812 0.339 . . . . 0.0 111.62 178.965 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -52.94 -39.34 62.8 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-O 121.068 0.461 . . . . 0.0 110.399 -179.268 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.725 HG23 HG21 ' A' ' 119' ' ' ILE . 21.7 mt -71.39 -38.78 70.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.988 179.227 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -59.97 -51.08 71.18 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 178.923 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.2 tptm -59.02 -42.79 91.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.905 179.012 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 39.9 t -56.43 -46.67 80.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.155 179.367 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 94.1 mt -60.02 -47.21 92.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.859 178.906 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.429 ' O ' ' HG2' ' A' ' 97' ' ' LYS . 58.1 m -59.34 -29.38 67.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.362 -179.69 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -79.19 -39.51 33.15 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 179.329 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? -70.76 -37.96 73.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.893 178.85 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.429 ' HG2' ' O ' ' A' ' 94' ' ' SER . 0.3 OUTLIER 61.11 74.09 0.46 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.751 -178.829 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 14.9 m -125.81 176.53 6.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.027 -179.361 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 24.1 mttm -86.28 46.69 1.37 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.305 -179.798 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 67.5 mt -112.06 125.06 69.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.121 179.318 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -138.67 166.99 22.93 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.394 -179.854 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 63.2 tp -102.71 137.46 40.89 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.104 0.478 . . . . 0.0 110.988 178.84 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -94.74 118.25 31.43 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 178.679 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 11.8 mmtp -67.04 -21.69 65.91 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -178.509 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 28.9 p -57.14 -35.84 69.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.776 0.322 . . . . 0.0 111.207 -179.466 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.403 ' HB1' ' SG ' ' A' ' 68' ' ' CYS . . . -58.43 174.95 0.27 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.13 0.49 . . . . 0.0 111.938 -179.239 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 2.1 ttp85 -123.1 -58.48 1.64 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.925 -179.748 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 21.4 p-80 -76.33 149.03 37.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.824 -179.168 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 72.0 mt -108.51 63.29 0.61 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.293 179.096 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -126.0 124.65 41.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.426 179.606 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 21.6 pt -107.01 158.0 7.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.077 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 11.3 p -69.71 157.6 36.98 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.693 179.681 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -61.91 -28.25 69.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.023 0.439 . . . . 0.0 110.249 179.601 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -57.76 -61.5 2.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.265 -179.928 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 20.6 m170 -66.07 -33.49 75.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.771 -179.28 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 5.1 ttpp -60.67 -54.16 48.62 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.018 0.437 . . . . 0.0 110.891 179.932 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -65.8 -36.86 84.7 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.254 -179.555 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 6.0 tt -66.11 -39.43 89.93 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.66 -179.263 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.725 HG21 HG23 ' A' ' 89' ' ' ILE . 84.9 mt -78.15 -46.86 25.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -178.345 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -59.84 -30.52 69.01 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 -178.347 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 62.4 m . . . . . 0 CA--C 1.533 0.317 0 N-CA-C 115.042 1.497 . . . . 0.0 115.042 -175.985 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.748 0.309 . . . . 0.0 110.525 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 58.7 mt -112.21 159.67 18.36 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.944 0.402 . . . . 0.0 111.135 -179.892 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 42.7 t -55.18 153.37 6.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.762 179.766 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 98.7 m -116.18 23.27 12.28 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -179.345 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.419 HD11 HG21 ' A' ' 111' ' ' ILE . 75.1 mt -118.5 159.68 23.08 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 178.573 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 39.4 mtp180 -127.2 135.42 50.63 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.819 0.342 . . . . 0.0 111.091 -179.657 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 56.4 tt0 -114.28 108.08 16.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.137 179.148 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 60.82 40.41 15.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.491 -179.375 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 84.05 -7.16 72.15 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.826 -0.702 . . . . 0.0 113.121 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.02 131.99 36.27 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.002 0.43 . . . . 0.0 111.217 -179.662 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.82 61.62 5.98 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 115.839 -0.619 . . . . 0.0 112.05 -178.647 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 35.4 t 31.24 -95.81 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 115.415 -0.812 . . . . 0.0 113.114 178.921 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 122.78 -27.12 6.03 Favored Glycine 0 C--N 1.336 0.539 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.635 -179.578 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.438 ' NH2' ' HB2' ' A' ' 113' ' ' ASP . 41.9 ttt180 -69.62 137.01 51.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.759 0.314 . . . . 0.0 110.763 179.806 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.03 143.47 48.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.685 -179.469 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.03 159.3 4.32 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.955 179.063 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -124.8 -114.55 2.05 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 119.925 -1.131 . . . . 0.0 114.062 -178.782 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 20.3 t30 -126.42 15.62 7.69 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -178.156 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -111.22 150.93 28.86 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.041 0.448 . . . . 0.0 111.526 -179.586 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 24.0 p -123.06 149.96 43.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.771 179.695 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -81.29 120.72 25.28 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.962 179.444 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 61.6 p -126.34 -159.04 0.89 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.407 -178.851 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 32.8 mmtt -79.87 -42.96 23.15 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 121.158 0.504 . . . . 0.0 110.823 179.273 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.8 tmm_? -51.98 -46.04 64.69 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.155 -179.538 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.495 HG23 HG21 ' A' ' 119' ' ' ILE . 20.1 mt -64.62 -38.15 81.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.92 0.391 . . . . 0.0 110.076 179.317 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.11 -48.27 80.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.515 0.674 . . . . 0.0 109.409 178.59 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.14 -47.55 85.73 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 114.899 -1.046 . . . . 0.0 110.185 179.187 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.411 ' OG ' ' NZ ' ' A' ' 96' ' ' LYS . 1.2 t -56.12 -49.19 74.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.891 179.3 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 96.7 mt -58.97 -46.86 91.31 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.465 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.16 179.039 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 7.7 t -55.64 -37.58 68.4 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.352 -179.363 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 28.8 tp60 -72.93 -27.81 62.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.924 0.392 . . . . 0.0 110.373 179.868 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.411 ' NZ ' ' OG ' ' A' ' 92' ' ' SER . 38.5 mttp -86.06 -41.7 14.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.393 179.274 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 3.9 mmtp 64.77 89.79 0.09 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.833 -178.18 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 15.6 m -137.14 173.12 13.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.301 -179.165 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 6.3 mmtm -87.02 55.78 3.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.481 -179.695 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 64.9 mt -130.24 118.74 44.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.508 179.365 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.8 pm0 -138.57 158.53 44.07 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.06 0.457 . . . . 0.0 110.809 179.752 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.36 123.92 29.54 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.562 -179.572 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.406 ' OD2' ' HB3' ' A' ' 105' ' ' SER . 27.9 t70 -74.46 133.71 42.35 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 178.516 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -85.85 -11.2 53.96 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.265 0.469 . . . . 0.0 112.265 -178.46 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 105' ' ' SER . . . . . 0.406 ' HB3' ' OD2' ' A' ' 103' ' ' ASP . 29.2 t -67.76 -22.53 65.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.667 0.27 . . . . 0.0 111.237 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.96 -159.46 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.748 -179.507 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.19 -59.34 0.49 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.16 -179.897 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 108' ' ' HIS . . . . . 0.43 ' O ' HD23 ' A' ' 109' ' ' LEU . 11.0 p80 -87.34 -172.38 3.9 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.516 -179.011 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.43 HD23 ' O ' ' A' ' 108' ' ' HIS . 84.2 mt -131.95 76.28 1.69 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.811 178.961 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -137.38 110.55 7.82 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.535 -178.969 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.419 HG21 HD11 ' A' ' 69' ' ' LEU . 36.1 pt -93.36 170.07 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.998 -179.747 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 15.3 p -85.78 164.79 17.37 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.419 179.572 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.438 ' HB2' ' NH2' ' A' ' 78' ' ' ARG . 0.7 OUTLIER -63.95 -36.73 84.9 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.963 0.411 . . . . 0.0 110.42 179.528 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -50.07 -61.96 1.85 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.329 -179.886 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 10.3 m80 -62.65 -34.67 77.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.548 -179.152 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.431 ' O ' ' HB2' ' A' ' 120' ' ' GLN . 14.8 ttpp -57.65 -52.98 63.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.911 0.386 . . . . 0.0 110.2 179.54 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 31.1 t-20 -66.34 -38.1 86.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.303 -179.603 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.499 HD23 ' O ' ' A' ' 118' ' ' LEU . 6.3 tt -61.11 -42.66 98.93 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.929 -179.038 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.495 HG21 HG23 ' A' ' 89' ' ' ILE . 66.4 mt -87.17 -51.19 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 113.414 0.894 . . . . 0.0 113.414 -177.814 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.431 ' HB2' ' O ' ' A' ' 116' ' ' LYS . 0.7 OUTLIER -58.37 -41.98 85.96 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 -178.037 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 73.5 m . . . . . 0 C--N 1.325 -0.498 0 N-CA-C 114.76 1.393 . . . . 0.0 114.76 -175.876 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 70.9 mm-40 . . . . . 0 CA--C 1.523 -0.094 0 CA-C-O 121.314 0.578 . . . . 0.0 112.077 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 65.1 mt -125.96 -179.36 4.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.478 179.747 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.488 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 51.6 t -79.28 135.84 36.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.803 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.449 ' HA ' ' NH1' ' A' ' 75' ' ' ARG . 25.8 m -96.04 19.18 12.02 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 -179.289 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.495 HD12 ' ND1' ' A' ' 115' ' ' HIS . 96.2 mt -100.22 163.66 12.3 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 178.99 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 22.8 mtp180 -130.21 112.84 13.75 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.804 0.335 . . . . 0.0 111.32 -179.618 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -94.79 89.64 5.76 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.767 179.007 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.41 ' OD2' ' HD2' ' A' ' 99' ' ' LYS . 0.6 OUTLIER 63.97 46.95 3.6 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.77 -179.119 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 86.28 -13.83 56.26 Favored Glycine 0 C--N 1.331 0.282 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.964 179.856 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -88.52 123.91 33.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.725 0.263 . . . . 0.0 110.898 -179.813 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.549 ' O ' ' N ' ' A' ' 77' ' ' GLY . 3.5 mmm180 -76.74 57.64 1.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.532 -179.496 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.488 ' HB3' ' HB3' ' A' ' 67' ' ' CYS . 2.9 t 47.27 -71.84 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 179.781 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.549 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 90.87 27.73 18.18 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.948 -0.644 . . . . 0.0 111.674 -179.343 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 59.8 ttt85 -129.71 142.82 50.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.919 0.39 . . . . 0.0 110.945 -179.607 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.07 145.76 29.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.677 -179.613 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.27 164.61 4.1 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.11 179.239 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -119.82 -122.11 2.99 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.125 -1.036 . . . . 0.0 113.992 -178.833 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -120.95 -41.57 2.54 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 -178.201 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.3 167.93 7.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.184 0.516 . . . . 0.0 111.905 -179.067 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 62.9 m -131.22 153.34 49.59 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.466 179.62 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -66.94 138.06 57.0 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 179.295 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 88.6 p -143.93 -169.59 3.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.782 0.325 . . . . 0.0 111.288 -179.243 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -78.9 -48.46 14.58 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.416 178.961 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.6 -38.09 52.94 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.538 -179.669 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.599 HG23 HG21 ' A' ' 119' ' ' ILE . 51.8 mt -68.72 -35.75 71.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 178.857 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 13.8 tm0? -64.79 -44.77 88.88 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-O 121.541 0.686 . . . . 0.0 109.476 178.502 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.72 -41.52 95.42 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 114.914 -1.039 . . . . 0.0 110.246 179.057 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 29.2 t -63.64 -44.92 92.43 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.281 178.981 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 89' ' ' ILE . 95.6 mt -56.92 -49.96 77.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 178.677 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 31.2 t -54.29 -49.63 69.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.184 -179.938 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -49.88 -31.88 13.16 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 121.229 0.538 . . . . 0.0 110.162 179.68 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.0 mmtp -90.53 -35.71 14.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.058 178.858 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 63.17 58.21 1.47 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.569 -179.114 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 17.6 m -105.22 171.18 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.357 -179.398 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.41 ' HD2' ' OD2' ' A' ' 72' ' ' ASP . 43.6 mttm -84.83 50.05 1.84 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.423 -179.796 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 60.8 mt -128.72 110.11 20.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.916 179.312 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -145.99 151.37 37.67 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.365 179.815 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 50.3 tp -61.65 141.45 57.81 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.203 0.525 . . . . 0.0 111.69 -179.562 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -92.59 141.59 28.32 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.358 -0.978 . . . . 0.0 108.358 178.153 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -83.81 -12.37 55.73 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -178.967 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.7 p -72.46 -16.54 61.81 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 121.03 -0.268 . . . . 0.0 111.085 179.755 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -82.51 175.24 10.36 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 121.053 0.454 . . . . 0.0 111.765 -179.528 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 29.6 mtt180 -124.62 -68.16 0.87 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.088 -179.457 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 24.6 p80 -63.15 -173.3 0.05 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.003 -179.716 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 49.6 mt -144.59 80.01 1.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.189 0.519 . . . . 0.0 110.345 179.129 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -142.62 102.99 4.16 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.875 -179.6 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 36.6 pt -83.92 170.12 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.97 -179.892 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 11.8 p -80.26 172.27 13.99 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.396 179.606 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -73.4 -36.84 66.07 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.062 0.458 . . . . 0.0 110.384 179.52 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 78.1 t80 -52.82 -57.5 9.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.452 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 115' ' ' HIS . . . . . 0.495 ' ND1' HD12 ' A' ' 69' ' ' LEU . 16.3 m170 -66.84 -38.29 86.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.647 -179.399 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.24 -50.67 68.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.045 0.45 . . . . 0.0 110.538 179.613 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -70.1 -39.87 75.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.832 -179.753 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 8.2 tt -61.19 -38.36 86.27 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.952 -0.567 . . . . 0.0 112.044 -178.972 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.599 HG21 HG23 ' A' ' 89' ' ' ILE . 72.3 mt -90.7 -45.54 14.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 113.218 0.821 . . . . 0.0 113.218 -177.999 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -50.68 -43.75 57.56 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 -178.471 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 N-CA-C 114.865 1.432 . . . . 0.0 114.865 -175.594 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 121.298 0.571 . . . . 0.0 111.721 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 87.9 mt -114.15 151.44 32.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.428 179.552 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.43 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 46.5 t -56.51 139.32 49.82 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.803 179.728 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 2.0 m -102.92 27.21 7.27 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 112.219 0.452 . . . . 0.0 112.219 -179.304 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 94.5 mt -113.68 163.06 15.48 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 178.183 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.44 ' HA ' ' O ' ' A' ' 74' ' ' GLU . 31.4 mtp180 -128.66 108.78 10.77 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.886 -0.326 . . . . 0.0 111.433 -179.751 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -99.24 106.43 18.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.057 179.183 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 66.47 42.04 3.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.846 -179.161 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 78.52 -6.65 51.94 Favored Glycine 0 CA--C 1.52 0.346 0 C-N-CA 120.956 -0.64 . . . . 0.0 113.412 179.624 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.44 ' O ' ' HA ' ' A' ' 70' ' ' ARG . 5.5 mm-40 -96.05 135.29 38.02 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 117.095 0.448 . . . . 0.0 111.022 -179.628 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.545 ' O ' ' N ' ' A' ' 77' ' ' GLY . 15.5 mmm-85 -82.39 54.84 2.71 Favored 'General case' 0 C--O 1.225 -0.207 0 C-N-CA 120.841 -0.344 . . . . 0.0 111.405 -179.339 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.43 ' HB3' ' HB3' ' A' ' 67' ' ' CYS . 0.5 OUTLIER 49.03 -64.23 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 179.539 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.545 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 90.87 -13.68 65.32 Favored Glycine 0 N--CA 1.449 -0.466 0 N-CA-C 111.336 -0.706 . . . . 0.0 111.336 -178.388 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 20.5 ttt180 -84.71 163.19 19.34 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 120.72 0.295 . . . . 0.0 110.361 179.769 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -83.2 152.12 25.36 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.595 -179.437 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.81 153.59 41.84 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.004 178.939 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -114.99 -131.38 5.04 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.203 -0.999 . . . . 0.0 114.109 -178.547 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -104.32 -29.26 10.88 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -178.177 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.495 ' HB2' ' CD ' ' A' ' 116' ' ' LYS . . . -62.95 172.85 1.56 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.098 0.475 . . . . 0.0 111.747 -179.395 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.7 m -146.22 138.67 25.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.859 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -59.55 126.5 27.88 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 178.924 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 86.6 p -130.76 -171.73 2.64 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.075 0.464 . . . . 0.0 111.526 -179.161 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 46.4 mttp -77.69 -46.82 20.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.964 178.991 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.9 -34.45 54.94 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.118 179.279 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.915 HG23 HG21 ' A' ' 119' ' ' ILE . 19.2 mt -71.59 -45.32 68.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 178.955 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -55.64 -47.73 76.14 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 178.093 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 15.4 mmtm -60.35 -47.29 86.7 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 114.316 -1.311 . . . . 0.0 110.073 178.398 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 13.9 t -54.29 -39.66 67.16 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.487 179.738 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 74.9 mt -76.21 -35.98 29.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.098 179.202 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 26.0 t -54.41 -44.22 72.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.212 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 35.9 tp60 -71.17 -6.76 41.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.074 179.655 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.2 mmmm -106.76 -56.57 2.18 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 121.031 0.443 . . . . 0.0 110.49 179.223 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 75.53 71.52 0.09 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.576 -178.9 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 18.1 m -118.37 174.28 4.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.523 -179.123 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -77.75 61.14 2.37 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.155 -179.628 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 82.6 mt -138.93 106.88 3.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.231 179.269 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -132.62 144.36 50.3 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.647 -179.919 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.2 tp -68.59 134.3 49.77 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.728 -179.534 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -74.02 134.32 43.02 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 177.881 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 24.3 mtmm -86.38 -29.88 22.58 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.984 -0.286 . . . . 0.0 111.674 -178.827 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 14.5 p -71.07 -6.8 41.88 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.642 179.769 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -65.47 176.41 1.45 Allowed 'General case' 0 C--O 1.23 0.077 0 CA-C-O 121.162 0.505 . . . . 0.0 111.841 -179.541 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -127.44 -40.0 1.82 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.286 179.951 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 9.1 p80 -105.99 161.46 14.45 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.98 -0.555 . . . . 0.0 112.154 -178.237 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 73.9 mt -118.54 70.28 0.81 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.294 179.241 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -139.94 106.45 5.32 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.373 -179.703 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 25.6 pt -83.27 179.21 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.826 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 7.7 p -92.44 174.18 7.41 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.247 179.407 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -69.61 -32.43 71.15 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.105 0.479 . . . . 0.0 110.421 179.739 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -55.23 -62.2 1.82 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.68 -179.641 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 24.5 m80 -64.76 -34.87 79.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.452 -179.321 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.495 ' CD ' ' HB2' ' A' ' 83' ' ' ALA . 10.8 ttpp -57.7 -52.93 63.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.918 0.39 . . . . 0.0 110.375 179.78 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -68.74 -35.92 77.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.294 -179.439 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.443 HD23 ' O ' ' A' ' 118' ' ' LEU . 3.3 tt -65.87 -40.94 92.12 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.695 -179.172 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.915 HG21 HG23 ' A' ' 89' ' ' ILE . 73.7 mt -85.57 -40.62 14.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 -177.966 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.414 ' HB2' ' O ' ' A' ' 116' ' ' LYS . 5.3 mt-30 -62.27 -37.59 86.07 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -178.601 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 69.5 m . . . . . 0 C--N 1.326 -0.418 0 N-CA-C 115.21 1.559 . . . . 0.0 115.21 -176.035 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 . . . . . 0 CA--C 1.522 -0.12 0 CA-C-O 121.183 0.516 . . . . 0.0 112.02 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 70.3 mt -107.64 163.2 13.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.474 179.277 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.486 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 48.5 t -61.67 145.34 52.59 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.96 179.836 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 34.0 m -106.63 29.2 7.14 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -179.334 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 84.1 mt -119.55 170.94 8.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.746 0.308 . . . . 0.0 110.27 178.428 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.466 ' HG2' ' HD2' ' A' ' 75' ' ' ARG . 12.0 mtp180 -135.8 111.54 9.38 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.218 -179.764 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 54.8 tt0 -91.89 107.73 19.42 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 178.988 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 60.49 21.17 10.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.685 -179.197 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 106.21 -14.75 43.77 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.706 -0.759 . . . . 0.0 113.294 179.503 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -88.1 137.89 31.93 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.267 0.555 . . . . 0.0 111.947 -179.363 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.498 ' O ' ' N ' ' A' ' 77' ' ' GLY . 43.6 mmm-85 -80.38 61.75 4.26 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.195 -0.911 . . . . 0.0 111.952 -178.9 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.486 ' HB3' ' HB3' ' A' ' 67' ' ' CYS . 2.8 t 34.9 -82.96 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 178.763 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 115.81 -14.97 16.89 Favored Glycine 0 C--N 1.336 0.542 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.494 -179.156 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -88.43 159.2 18.11 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.718 0.294 . . . . 0.0 110.64 179.924 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.3 153.84 42.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.977 0.418 . . . . 0.0 111.923 -179.605 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -85.92 137.26 32.86 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.043 179.001 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -104.55 -153.63 22.6 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.482 -0.866 . . . . 0.0 113.956 -178.64 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -78.93 -4.6 50.64 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -178.966 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.414 ' HB2' ' HD3' ' A' ' 116' ' ' LYS . . . -81.03 151.11 28.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.973 0.416 . . . . 0.0 111.639 -179.448 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.6 m -127.11 151.49 48.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.521 179.675 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -78.35 141.67 38.25 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 178.989 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 16.1 p -149.28 -174.87 4.78 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.036 0.446 . . . . 0.0 111.857 -178.967 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.5 mmtm -71.07 -42.4 69.46 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.27 179.555 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -54.67 -45.35 73.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.179 179.181 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.41 ' O ' HG13 ' A' ' 93' ' ' ILE . 44.7 mt -64.67 -37.61 80.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.925 179.225 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 10.5 tm0? -60.62 -51.69 68.32 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-O 121.735 0.779 . . . . 0.0 109.065 178.353 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.1 mmpp? -58.39 -43.98 88.74 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 114.417 -1.265 . . . . 0.0 109.981 178.705 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 43.9 t -58.89 -39.72 82.31 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.439 179.378 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.41 HG13 ' O ' ' A' ' 89' ' ' ILE . 61.6 mt -73.13 -36.57 50.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.077 0.465 . . . . 0.0 110.153 179.197 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 36.5 t -57.44 -43.31 83.81 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.975 179.941 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 -58.64 -44.38 90.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.993 0.425 . . . . 0.0 110.07 179.566 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 43.6 mttp -70.19 -34.74 73.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.119 179.077 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 46.2 tptt 59.57 56.74 3.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.338 -178.764 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 31.5 m -105.53 174.55 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.592 -179.212 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -87.02 62.65 7.5 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.358 -179.699 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 77.2 mt -137.15 115.34 14.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.279 179.308 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -137.1 162.94 32.02 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.765 -179.872 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 19.5 tp -81.13 143.24 32.54 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.308 0.575 . . . . 0.0 111.492 -179.896 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -95.84 139.0 32.69 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 177.294 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -89.34 -3.24 58.55 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -178.726 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 59.5 p -76.62 -35.1 58.27 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.805 0.336 . . . . 0.0 111.24 -179.759 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -48.05 150.57 1.14 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.048 0.452 . . . . 0.0 111.875 -179.271 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -92.58 -23.3 19.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.053 179.711 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 13.0 p80 -130.17 -171.53 2.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.146 -179.288 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 85.9 mt -131.67 88.63 2.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.519 179.191 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -147.25 127.47 13.84 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.419 179.617 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 38.0 pt -105.91 170.73 2.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.86 179.914 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 23.0 p -86.93 168.56 13.27 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.511 179.61 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -69.28 -29.48 67.37 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.078 0.466 . . . . 0.0 110.364 179.592 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -55.53 -61.6 2.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.399 -179.941 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 22.8 m80 -63.88 -40.01 95.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.698 -179.418 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.414 ' HD3' ' HB2' ' A' ' 83' ' ' ALA . 18.2 ttpp -52.31 -53.71 40.84 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.038 0.447 . . . . 0.0 110.7 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -63.75 -42.95 97.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.979 -179.833 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.506 HD23 ' O ' ' A' ' 118' ' ' LEU . 3.7 tt -58.86 -42.5 89.55 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.726 -179.401 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 61.6 mt -82.81 -48.55 17.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 113.256 0.836 . . . . 0.0 113.256 -178.036 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -67.71 -33.87 75.75 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 -178.012 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 61.0 m . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 115.106 1.521 . . . . 0.0 115.106 -176.252 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 . . . . . 0 CA--C 1.52 -0.173 0 CA-C-O 120.919 0.39 . . . . 0.0 110.767 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -114.53 166.12 12.04 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.596 179.462 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 49.4 t -55.75 138.05 48.53 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.34 -0.846 . . . . 0.0 111.431 -179.7 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 22.4 p -102.1 24.61 9.86 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.938 0.399 . . . . 0.0 111.144 179.846 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 32.3 mt -126.08 159.7 32.1 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 179.326 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.466 ' HG2' ' HD3' ' A' ' 75' ' ' ARG . 8.2 mtp-105 -130.44 109.47 10.74 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.163 -179.779 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -90.49 120.13 31.33 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 179.07 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 57.57 32.67 22.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.51 -179.074 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 84.24 -2.76 87.44 Favored Glycine 0 CA--C 1.52 0.345 0 C-N-CA 120.99 -0.624 . . . . 0.0 113.292 179.516 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -99.79 135.29 41.44 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 117.131 0.465 . . . . 0.0 111.207 -179.806 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.495 ' O ' ' N ' ' A' ' 77' ' ' GLY . 1.7 tpp85 -74.72 58.02 0.79 Allowed 'General case' 0 N--CA 1.462 0.13 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.71 -179.197 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 7.4 t 46.54 -79.39 0.0 OUTLIER 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 179.571 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 117.85 -28.02 7.22 Favored Glycine 0 C--N 1.331 0.301 0 C-N-CA 120.954 -0.641 . . . . 0.0 111.525 -179.068 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 27.6 ttt180 -86.4 132.48 33.94 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 179.149 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.27 164.5 0.45 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.934 0.397 . . . . 0.0 111.708 -178.833 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.4 165.18 25.07 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.507 -179.682 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -129.76 -149.82 6.84 Favored Glycine 0 C--N 1.334 0.454 0 C-N-CA 120.481 -0.866 . . . . 0.0 113.681 -179.244 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -83.56 -40.81 18.64 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -178.686 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -55.13 161.87 1.58 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.1 0.476 . . . . 0.0 111.661 -179.245 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -127.53 171.22 11.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.236 179.608 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -95.11 108.33 20.43 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 178.845 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 38.4 p -112.38 -170.14 1.61 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.688 -178.594 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.4 -45.87 24.51 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.433 179.744 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.78 -45.0 66.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.248 179.392 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.477 HG23 HG21 ' A' ' 119' ' ' ILE . 76.8 mt -62.86 -34.5 66.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 179.105 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -68.45 -52.33 33.77 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-O 121.613 0.72 . . . . 0.0 109.376 178.74 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.33 -41.77 63.27 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 114.758 -1.11 . . . . 0.0 110.083 179.135 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.419 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 36.6 m -61.6 -52.57 63.84 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 178.746 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 97.3 mt -53.33 -35.39 24.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.11 179.053 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 50.8 m -69.3 -35.87 76.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.135 -179.722 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 43.7 tp60 -77.51 -46.12 23.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.227 179.416 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.419 ' HG3' ' O ' ' A' ' 92' ' ' SER . 3.4 mtpm? -63.15 -37.99 89.41 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 121.209 0.528 . . . . 0.0 109.643 178.723 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? 66.73 80.2 0.22 Allowed 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.674 -179.187 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 27.0 m -134.34 157.23 41.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.147 -179.089 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.3 mmmm -76.94 58.13 1.44 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.208 -179.807 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 53.8 mt -131.29 108.95 15.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.139 179.428 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -130.53 168.69 16.64 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.659 -179.833 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 36.7 tp -82.14 132.04 35.24 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.199 0.523 . . . . 0.0 110.852 179.544 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 59.6 t0 -91.52 126.15 36.51 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 179.487 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 46.3 mttp -74.85 -17.37 60.61 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -178.588 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.15 -28.22 66.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.923 0.392 . . . . 0.0 110.487 179.653 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -68.23 139.98 56.04 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.521 -179.625 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -101.89 39.68 1.43 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.588 -179.945 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 26.4 p80 -177.91 -179.21 0.74 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.638 -179.574 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 91.4 mt -129.45 92.34 3.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.341 179.301 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -153.05 126.38 8.63 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.534 179.762 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 41.6 pt -108.7 164.5 5.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.765 179.847 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 8.3 p -80.55 166.43 21.16 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.523 179.528 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -68.39 -34.12 75.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.092 0.473 . . . . 0.0 110.378 179.929 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -52.73 -54.9 27.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.314 179.921 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 14.1 m170 -69.07 -37.28 78.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.727 -179.44 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 5.9 ttpp -55.21 -51.25 67.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.046 0.45 . . . . 0.0 110.552 179.592 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -71.81 -34.1 69.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.188 -179.751 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.548 HD23 ' O ' ' A' ' 118' ' ' LEU . 6.7 tt -68.04 -31.06 70.46 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.606 -179.301 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.477 HG21 HG23 ' A' ' 89' ' ' ILE . 77.9 mt -93.57 -45.79 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 -178.019 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -67.21 -41.22 86.17 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 -178.072 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 12.8 m . . . . . 0 C--N 1.328 -0.346 0 N-CA-C 114.923 1.453 . . . . 0.0 114.923 -175.462 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 . . . . . 0 N--CA 1.455 -0.216 0 CA-C-O 120.885 0.374 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 45.5 mt -107.05 149.82 27.17 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.828 -179.842 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.448 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 12.9 t -48.05 127.23 12.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.691 179.595 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 35.9 m -90.7 32.42 0.98 Allowed 'General case' 0 N--CA 1.462 0.142 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -178.9 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 82.6 mt -112.65 163.11 14.93 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 178.349 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.409 ' HG2' ' HD3' ' A' ' 75' ' ' ARG . 29.3 mtp180 -130.9 143.83 51.02 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.8 0.333 . . . . 0.0 111.033 -179.702 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -125.33 109.32 12.64 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.34 179.26 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 58.73 43.38 18.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.51 -179.524 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 74.65 0.19 58.17 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.862 -0.685 . . . . 0.0 113.036 -179.852 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -113.01 127.1 56.14 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 121.008 0.432 . . . . 0.0 111.218 -179.752 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.409 ' HD3' ' HG2' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -55.69 159.23 3.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.801 -179.28 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.448 ' HB3' ' HB3' ' A' ' 67' ' ' CYS . 25.9 t -70.89 -54.57 10.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.078 179.098 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 92.43 -32.06 5.72 Favored Glycine 0 C--N 1.33 0.247 0 C-N-CA 120.791 -0.718 . . . . 0.0 113.103 179.23 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.446 ' HD3' ' HB2' ' A' ' 112' ' ' CYS . 34.3 ttt-85 -68.33 144.26 54.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.842 0.353 . . . . 0.0 110.621 -179.812 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.407 ' O ' ' HB3' ' A' ' 112' ' ' CYS . . . -56.84 155.83 7.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.647 -179.568 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.94 152.59 40.07 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.196 179.281 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -108.61 -147.44 12.58 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.427 -0.892 . . . . 0.0 113.773 -178.881 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -105.88 7.1 32.06 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -178.892 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -97.83 178.58 5.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.097 0.475 . . . . 0.0 111.423 -179.537 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.8 p -138.22 159.59 41.64 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.653 179.891 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.52 ' CD2' HD13 ' A' ' 102' ' ' LEU . 76.7 t80 -95.33 123.63 38.95 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.343 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 88.6 p -128.05 -158.86 0.9 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.509 -178.603 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.0 -41.61 25.49 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.422 0.629 . . . . 0.0 110.614 179.361 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.1 ttm-85 -52.32 -49.72 63.68 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.51 -179.109 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.779 HG23 HG21 ' A' ' 119' ' ' ILE . 95.3 mt -63.92 -35.9 74.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.67 179.913 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 14.2 tm0? -63.7 -44.86 92.42 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 178.821 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -62.05 -52.54 63.51 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.785 178.688 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.41 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 8.4 t -52.1 -43.42 63.91 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.024 179.533 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.465 HG23 ' CG2' ' A' ' 98' ' ' VAL . 70.6 mt -60.98 -49.29 85.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.208 179.0 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.7 t -54.97 -48.07 73.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.179 -179.491 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.96 -37.9 89.19 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.033 0.444 . . . . 0.0 109.928 179.635 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.41 ' HG3' ' O ' ' A' ' 92' ' ' SER . 13.9 mtpp -68.96 -28.58 66.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.012 178.668 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.59 76.53 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.822 -179.161 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.465 ' CG2' HG23 ' A' ' 93' ' ' ILE . 29.0 m -135.53 162.82 36.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.1 -179.451 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 32.4 mttp -90.28 71.27 7.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.567 -179.587 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.409 ' HA ' ' O ' ' A' ' 70' ' ' ARG . 34.3 mt -138.07 98.84 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.02 0.438 . . . . 0.0 110.311 178.989 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -109.11 160.99 15.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.693 -179.915 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.52 HD13 ' CD2' ' A' ' 85' ' ' PHE . 1.3 tp -78.16 133.11 37.85 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.134 0.492 . . . . 0.0 111.607 -179.786 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -67.84 133.47 49.24 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 177.527 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 9.8 mtmt -101.8 -10.11 20.2 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -178.586 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.7 t -92.82 20.92 6.04 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.699 0.285 . . . . 0.0 110.643 179.586 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -106.93 -169.28 1.52 Allowed 'General case' 0 C--O 1.231 0.106 0 CA-C-O 120.949 0.404 . . . . 0.0 111.578 -179.426 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 15.7 mtp85 -126.53 -70.41 0.73 Allowed 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.238 -179.61 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 29.1 p80 -75.14 -172.01 1.56 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.44 -179.005 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 62.2 mt -138.6 81.18 1.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.863 179.134 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -138.45 115.57 10.97 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.858 -179.548 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 32.9 pt -99.25 166.1 2.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.028 -179.701 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 112' ' ' CYS . . . . . 0.446 ' HB2' ' HD3' ' A' ' 78' ' ' ARG . 9.5 p -73.32 164.62 26.42 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.765 179.755 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.46 ' OD1' ' N ' ' A' ' 113' ' ' ASP . 0.4 OUTLIER -65.93 -39.52 90.6 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.279 0.561 . . . . 0.0 110.028 179.735 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -50.0 -56.35 11.04 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.171 -0.922 . . . . 0.0 111.449 -179.899 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 5.8 m170 -69.68 -29.17 66.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.679 -179.364 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.446 ' O ' ' HB2' ' A' ' 120' ' ' GLN . 13.0 ttpp -62.95 -54.55 36.64 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.462 179.78 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -68.53 -42.71 78.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.996 -179.6 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.526 HD23 ' O ' ' A' ' 118' ' ' LEU . 5.4 tt -58.75 -47.8 83.42 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.171 -179.0 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.779 HG21 HG23 ' A' ' 89' ' ' ILE . 79.1 mt -80.16 -39.73 19.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 113.55 0.945 . . . . 0.0 113.55 -177.8 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.446 ' HB2' ' O ' ' A' ' 116' ' ' LYS . 39.7 mt-30 -70.33 -40.83 73.92 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 -178.349 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 2.7 t . . . . . 0 C--N 1.328 -0.358 0 N-CA-C 115.013 1.486 . . . . 0.0 115.013 -174.856 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.807 ' O ' HD12 ' A' ' 66' ' ' LEU . 3.0 mp0 . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.841 0.353 . . . . 0.0 110.504 . . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.807 HD12 ' O ' ' A' ' 65' ' ' GLN . 1.7 mp -139.01 138.58 37.36 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.305 0.574 . . . . 0.0 112.018 179.66 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 38.4 t -43.77 146.36 0.57 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 114.962 -1.017 . . . . 0.0 111.408 -179.821 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 17.7 p -106.84 20.52 18.91 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.384 179.887 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 94.6 mt -106.09 163.19 12.97 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 178.824 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 54.0 mtt-85 -127.9 120.16 27.11 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.249 -179.55 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 64.0 tt0 -103.49 117.59 34.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.087 178.958 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 55.46 38.15 29.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.774 -179.413 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 79.84 -6.97 57.3 Favored Glycine 0 CA--C 1.52 0.352 0 C-N-CA 120.866 -0.683 . . . . 0.0 113.217 179.671 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.401 ' O ' ' N ' ' A' ' 76' ' ' CYS . 70.5 mm-40 -93.72 127.16 39.29 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 117.088 0.444 . . . . 0.0 111.093 -179.71 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.9 tpp85 -65.61 64.89 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.8 -0.636 . . . . 0.0 112.451 -178.791 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.401 ' N ' ' O ' ' A' ' 74' ' ' GLU . 10.5 t 36.66 -92.31 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 178.61 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 121.02 -33.93 4.21 Favored Glycine 0 C--N 1.334 0.441 0 C-N-CA 120.39 -0.91 . . . . 0.0 112.539 -179.552 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 46.7 ttt180 -73.92 152.11 40.23 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 179.269 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.01 160.11 32.6 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.927 0.394 . . . . 0.0 111.648 -178.78 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.27 166.32 21.82 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.606 -179.559 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -122.71 -125.9 3.12 Favored Glycine 0 CA--C 1.52 0.368 0 C-N-CA 120.484 -0.865 . . . . 0.0 113.696 -179.099 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -117.09 -4.96 11.42 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 112.68 0.622 . . . . 0.0 112.68 -178.295 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -94.62 168.2 10.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.101 0.477 . . . . 0.0 111.774 -179.395 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -131.65 170.53 14.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.26 179.667 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -90.54 133.93 34.73 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 179.222 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 60.2 p -137.92 -163.74 1.5 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.985 0.421 . . . . 0.0 111.175 -179.196 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.6 mmtm -80.25 -49.24 11.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.758 178.617 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -51.54 -41.67 61.23 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.789 -179.337 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.42 ' O ' HG13 ' A' ' 93' ' ' ILE . 55.4 mt -65.87 -44.31 92.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.151 179.436 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 16.4 tm0? -55.54 -51.45 67.02 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.076 0.465 . . . . 0.0 109.968 179.052 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.3 tmtp? -62.81 -42.5 99.74 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.693 179.325 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.404 ' OG ' ' NZ ' ' A' ' 96' ' ' LYS . 29.1 t -57.59 -32.67 67.41 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.053 178.854 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 89' ' ' ILE . 96.7 mt -75.64 -46.53 36.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.945 179.014 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.429 ' O ' ' HG3' ' A' ' 97' ' ' LYS . 25.8 t -54.07 -46.48 71.99 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.183 -179.89 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 37.1 tp60 -63.82 -28.06 69.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.977 0.418 . . . . 0.0 110.058 179.678 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.421 ' HE2' ' HA ' ' A' ' 119' ' ' ILE . 35.3 mttp -80.25 -43.39 21.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.34 179.059 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.429 ' HG3' ' O ' ' A' ' 94' ' ' SER . 8.6 mttp 71.21 85.11 0.13 Allowed 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.53 -178.568 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 22.0 m -142.03 159.52 20.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.093 -179.259 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 51.7 mttm -79.95 55.12 2.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.438 -179.617 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 73.3 mt -119.12 103.36 14.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.198 -0.455 . . . . 0.0 109.893 179.354 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -118.82 163.78 16.38 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.842 -179.835 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 19.7 tp -92.01 136.53 33.09 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.077 -179.886 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 58.6 t0 -87.22 121.78 30.12 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 179.204 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 3.5 mtmm -82.27 -11.54 58.58 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -178.641 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.3 m -84.0 4.86 27.99 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.65 0.262 . . . . 0.0 110.848 178.917 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -69.27 178.38 2.39 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-O 121.354 0.597 . . . . 0.0 112.086 -179.042 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -122.0 -5.89 8.99 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.113 -0.949 . . . . 0.0 111.289 -179.788 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 20.3 p80 -154.55 -172.19 4.11 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 120.714 0.292 . . . . 0.0 110.296 -179.707 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 109' ' ' LEU . 35.5 mt -135.84 80.47 1.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.266 0.555 . . . . 0.0 109.907 178.787 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -137.8 133.25 33.79 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.545 -179.154 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 32.2 pt -115.97 141.84 31.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.081 -179.686 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 5.8 p -61.64 152.46 30.69 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.433 179.522 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -56.08 -29.93 61.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.077 0.465 . . . . 0.0 110.254 179.797 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -55.56 -61.26 2.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.36 -179.935 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 22.2 m170 -66.53 -39.75 88.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.793 -179.383 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 5.3 ttpp -55.31 -53.09 60.52 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.01 0.433 . . . . 0.0 110.534 179.803 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 34.5 t-20 -66.17 -42.94 88.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.995 -179.63 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.602 HD23 ' O ' ' A' ' 118' ' ' LEU . 5.0 tt -57.22 -37.37 72.13 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.808 -179.309 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.421 ' HA ' ' HE2' ' A' ' 96' ' ' LYS . 59.5 mt -89.52 -40.75 13.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 -177.687 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -66.23 -43.51 86.41 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 113.524 0.935 . . . . 0.0 113.524 -178.151 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 77.0 p . . . . . 0 N--CA 1.468 0.431 0 N-CA-C 114.592 1.33 . . . . 0.0 114.592 -175.808 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 . . . . . 0 N--CA 1.455 -0.219 0 CA-C-O 120.772 0.32 . . . . 0.0 110.498 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 82.2 mt -116.41 173.75 6.43 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.03 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 18.5 t -74.16 144.57 44.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.524 179.606 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.404 ' O ' HD23 ' A' ' 69' ' ' LEU . 31.4 p -107.8 37.24 2.49 Favored 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -179.229 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.404 HD23 ' O ' ' A' ' 68' ' ' CYS . 46.5 mt -125.79 155.48 41.01 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 178.672 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.453 ' HG2' ' HD2' ' A' ' 75' ' ' ARG . 14.2 mtp180 -125.31 120.16 30.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.895 0.379 . . . . 0.0 111.225 -179.78 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -101.68 109.64 21.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.039 179.158 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 54.24 30.28 12.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.615 -179.232 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 95.81 -9.21 68.42 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.844 -0.694 . . . . 0.0 113.228 179.687 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -85.21 125.47 32.88 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 117.038 0.419 . . . . 0.0 111.293 -179.536 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.453 ' HD2' ' HG2' ' A' ' 70' ' ' ARG . 12.3 mmm180 -80.83 60.33 4.04 Favored 'General case' 0 CA--C 1.528 0.133 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.646 -179.33 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 7.6 t 31.89 -87.61 0.0 OUTLIER 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 179.224 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 113.75 -20.61 17.47 Favored Glycine 0 C--N 1.335 0.516 0 C-N-CA 120.51 -0.852 . . . . 0.0 112.737 -179.455 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 59.9 ttt85 -80.16 143.88 33.48 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.824 0.345 . . . . 0.0 110.537 179.849 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.65 154.07 18.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.824 -179.419 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.85 146.07 46.48 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.083 179.053 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -108.73 -126.54 5.38 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.326 -0.94 . . . . 0.0 114.005 -178.625 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -117.01 12.14 14.5 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -178.183 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.604 ' HB2' ' HD3' ' A' ' 116' ' ' LYS . . . -106.51 136.82 45.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.053 0.454 . . . . 0.0 111.698 -179.422 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 38.8 p -107.83 150.55 26.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.443 179.456 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -75.67 122.47 24.02 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 179.043 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 77.0 p -128.85 -168.72 1.96 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.065 0.46 . . . . 0.0 111.425 -179.25 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.6 mtpm? -78.22 -40.94 35.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.898 179.007 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.04 -37.37 69.15 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.337 179.566 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.654 HG23 HG21 ' A' ' 119' ' ' ILE . 16.2 mt -71.03 -35.11 57.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 178.604 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -63.11 -44.17 96.38 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.207 0.527 . . . . 0.0 109.681 179.032 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.1 tmtm? -65.58 -43.15 90.64 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.846 179.051 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 31.2 t -57.98 -43.14 86.35 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.054 178.967 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.419 HG23 HG22 ' A' ' 98' ' ' VAL . 96.7 mt -64.43 -45.82 94.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.917 179.119 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 13.7 t -55.13 -44.45 75.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.008 179.898 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -63.14 -19.87 64.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.773 179.377 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.451 ' HE3' ' HA ' ' A' ' 119' ' ' ILE . 3.9 mtpm? -97.09 -35.65 10.74 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.196 0.522 . . . . 0.0 109.975 178.97 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? 59.31 75.85 0.38 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.61 -178.472 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.434 HG21 HD12 ' A' ' 100' ' ' ILE . 25.3 m -121.61 170.15 12.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.187 -179.145 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 4.4 mmtm -85.89 45.75 1.24 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.433 -179.742 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.434 HD12 HG21 ' A' ' 98' ' ' VAL . 72.3 mt -117.13 108.73 25.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.842 0.353 . . . . 0.0 110.11 179.465 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -123.17 162.2 22.99 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.096 -179.13 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 19.7 tp -82.65 141.86 32.16 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.187 179.942 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -89.33 134.53 34.02 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 178.213 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.2 mmpp? -84.98 -24.02 28.45 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 111.817 0.303 . . . . 0.0 111.817 -178.621 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 52.2 p -66.36 -21.71 66.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.738 0.304 . . . . 0.0 111.192 -179.857 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -65.79 149.29 50.4 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.099 0.476 . . . . 0.0 111.748 -179.463 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -106.55 -38.74 6.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.712 -179.707 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 16.2 p80 -91.18 168.58 11.51 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.522 -179.303 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 53.3 mt -125.89 73.96 1.39 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.155 179.443 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -143.89 134.15 24.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.363 179.835 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 32.6 pt -116.83 164.66 12.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.927 179.966 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 13.8 p -74.71 170.43 15.85 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.543 179.681 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.421 ' OD1' ' HE3' ' A' ' 116' ' ' LYS . 1.4 t70 -71.93 -35.21 69.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.175 0.512 . . . . 0.0 110.2 179.81 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -48.97 -61.1 2.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.476 -179.896 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 17.1 m80 -65.17 -35.07 79.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.813 -179.339 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.604 ' HD3' ' HB2' ' A' ' 83' ' ' ALA . 11.1 ttpp -56.65 -46.58 80.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.928 0.394 . . . . 0.0 110.602 179.849 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -74.15 -38.39 63.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.121 -179.688 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.612 HD23 ' O ' ' A' ' 118' ' ' LEU . 2.0 tt -64.2 -36.14 83.1 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.514 -179.51 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.654 HG21 HG23 ' A' ' 89' ' ' ILE . 72.7 mt -89.42 -44.01 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 -177.938 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -65.86 -38.85 89.92 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 -178.376 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 19.2 m . . . . . 0 C--N 1.327 -0.397 0 N-CA-C 115.015 1.487 . . . . 0.0 115.015 -175.896 . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 53.6 mm-40 . . . . . 0 N--CA 1.455 -0.177 0 CA-C-O 120.712 0.291 . . . . 0.0 110.292 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.95 148.82 34.21 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.141 0.496 . . . . 0.0 111.449 179.471 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 46.3 t -45.89 139.28 4.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.346 -179.735 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 32.0 p -102.87 27.18 7.27 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.96 0.409 . . . . 0.0 111.177 -179.976 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 57.7 mt -117.96 154.86 31.24 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 179.011 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.403 ' HA ' ' O ' ' A' ' 74' ' ' GLU . 22.3 mtp180 -122.99 116.31 23.34 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.25 -179.163 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 65.7 tt0 -97.37 110.38 22.95 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 178.893 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 66.23 29.66 9.54 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.59 -178.911 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 93.7 -17.48 58.51 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.89 -0.671 . . . . 0.0 113.075 179.474 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.403 ' O ' ' HA ' ' A' ' 70' ' ' ARG . 5.5 mm-40 -90.16 136.23 33.18 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.912 0.387 . . . . 0.0 111.489 -179.541 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 77' ' ' GLY . 14.8 tpp85 -73.24 63.38 0.72 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.769 -0.65 . . . . 0.0 112.67 -178.406 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 10.4 t 43.79 -85.72 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 178.406 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 114.41 -2.14 23.62 Favored Glycine 0 C--N 1.334 0.42 0 C-N-CA 120.48 -0.866 . . . . 0.0 112.939 -179.485 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 65.0 ttt180 -104.86 142.49 34.65 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 179.358 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.25 141.3 58.82 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.063 0.458 . . . . 0.0 111.839 -178.788 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -54.43 157.29 2.89 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.267 -179.823 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -112.81 -128.33 4.92 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.595 -0.812 . . . . 0.0 113.786 -179.065 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -117.16 10.09 13.74 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -178.371 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.442 ' HB2' ' CD ' ' A' ' 116' ' ' LYS . . . -105.6 168.06 9.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.147 0.499 . . . . 0.0 111.694 -179.405 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 59.8 p -135.12 137.99 43.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.67 179.693 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -61.7 129.49 41.31 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 179.092 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 56.4 p -134.41 -163.77 1.42 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.09 0.471 . . . . 0.0 111.478 -179.079 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.475 ' NZ ' ' HB2' ' A' ' 87' ' ' LYS . 1.0 OUTLIER -78.08 -47.9 17.26 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.499 179.402 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.6 tmm_? -51.89 -46.24 64.46 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.288 179.928 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.427 HG23 HG21 ' A' ' 119' ' ' ILE . 33.0 mt -62.8 -31.85 53.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 178.956 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -68.76 -45.65 70.87 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 178.381 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.6 mmtm -60.84 -40.12 91.65 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 114.818 -1.083 . . . . 0.0 109.856 178.73 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.6 t -65.84 -49.29 68.72 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.272 179.234 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 89' ' ' ILE . 64.2 mt -64.24 -32.12 56.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.184 179.213 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 38.5 m -67.49 -49.48 63.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.066 -179.966 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -67.56 -34.35 76.89 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 179.49 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.8 mtpm? -65.3 -41.41 94.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.287 0.565 . . . . 0.0 109.84 178.551 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 16.5 tttp 62.99 67.7 0.67 Allowed 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.346 -178.611 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 11.4 m -121.06 178.75 2.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.134 -0.939 . . . . 0.0 111.232 -179.243 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 6.5 mttp -95.42 45.67 1.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.581 -179.542 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 69.2 mt -122.28 94.73 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.258 179.059 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -113.82 164.48 13.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.073 0.463 . . . . 0.0 110.948 -179.867 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 12.1 tp -84.65 140.25 31.46 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.201 179.857 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 32.6 t0 -89.73 140.34 29.67 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 177.794 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 22.2 mtmm -98.34 -8.05 27.77 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 -178.472 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 9.1 p -81.85 -4.21 55.93 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 121.047 -0.261 . . . . 0.0 110.937 179.107 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -70.96 163.82 26.72 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-O 121.264 0.554 . . . . 0.0 112.012 -179.246 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.59 14.36 16.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.641 179.836 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 108' ' ' HIS . . . . . 0.405 ' O ' HD23 ' A' ' 109' ' ' LEU . 11.4 p80 -165.16 172.28 12.72 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 120.942 0.401 . . . . 0.0 110.726 -178.973 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.405 HD23 ' O ' ' A' ' 108' ' ' HIS . 49.8 mt -128.75 87.1 2.53 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.167 178.863 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -147.01 111.72 5.31 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.34 179.927 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 35.4 pt -89.32 173.15 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.964 -179.971 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 9.4 p -88.66 167.6 13.22 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.539 179.621 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -65.6 -35.83 81.95 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.109 0.481 . . . . 0.0 110.32 179.652 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -53.7 -58.88 5.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.325 179.896 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -66.97 -33.7 76.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.734 -179.381 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.442 ' CD ' ' HB2' ' A' ' 83' ' ' ALA . 15.9 ttpp -57.04 -53.09 62.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.95 0.405 . . . . 0.0 110.477 179.707 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -69.57 -42.58 74.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.307 -179.496 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.582 HD23 ' O ' ' A' ' 118' ' ' LEU . 5.9 tt -56.69 -40.06 74.92 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.598 -179.386 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.427 HG21 HG23 ' A' ' 89' ' ' ILE . 53.6 mt -87.34 -41.35 14.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 -177.789 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -65.75 -40.57 92.23 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 -178.44 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 15.7 p . . . . . 0 N--CA 1.466 0.343 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 -175.775 . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 121.12 0.486 . . . . 0.0 111.984 . . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 24.2 mt -115.96 148.21 40.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.79 -179.89 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 41.4 t -47.82 144.02 3.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 179.732 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 20.4 p -104.07 32.31 4.04 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.823 0.344 . . . . 0.0 111.552 -179.487 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 61.3 mt -119.54 158.73 25.73 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 178.855 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.424 ' HA ' ' O ' ' A' ' 74' ' ' GLU . 36.7 mtp180 -125.56 129.52 49.86 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.745 0.307 . . . . 0.0 111.278 -179.5 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -103.37 100.3 10.17 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 178.838 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 65.37 22.99 12.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.669 -179.0 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 110.1 -20.83 25.69 Favored Glycine 0 C--N 1.333 0.363 0 C-N-CA 120.748 -0.739 . . . . 0.0 113.046 179.64 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.424 ' O ' ' HA ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -82.11 127.75 33.44 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.658 0.266 . . . . 0.0 111.007 -179.361 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.47 ' O ' ' N ' ' A' ' 77' ' ' GLY . 39.4 mmm-85 -73.93 60.14 0.73 Allowed 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -178.875 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.0 t 47.12 -78.38 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 113.419 0.896 . . . . 0.0 113.419 179.004 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 101.24 -2.11 54.4 Favored Glycine 0 CA--C 1.521 0.438 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.674 -178.961 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.432 ' HG2' ' N ' ' A' ' 79' ' ' ALA . 22.4 ttt85 -104.94 147.15 28.08 Favored 'General case' 0 CA--C 1.529 0.138 0 CA-C-O 120.684 0.278 . . . . 0.0 110.677 179.788 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.432 ' N ' ' HG2' ' A' ' 78' ' ' ARG . . . -57.91 163.95 2.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.704 -179.603 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -85.84 151.31 23.9 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.248 179.192 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -109.51 -135.46 7.25 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.447 -0.883 . . . . 0.0 114.024 -178.718 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -106.71 -3.43 20.55 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 112.208 0.448 . . . . 0.0 112.208 -178.514 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.442 ' HB2' ' CD ' ' A' ' 116' ' ' LYS . . . -87.38 166.96 14.45 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.018 0.437 . . . . 0.0 111.749 -179.301 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.3 p -132.91 155.22 49.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.362 179.457 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -84.88 146.74 27.13 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.277 -0.419 . . . . 0.0 109.883 179.083 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 86.5 p -154.89 -165.81 2.14 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.973 0.415 . . . . 0.0 111.173 -179.262 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 10.6 mtmm -79.13 -45.01 20.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.079 178.971 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.6 tmm_? -52.23 -39.13 59.87 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.57 -179.999 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.779 HG23 HG21 ' A' ' 119' ' ' ILE . 35.9 mt -70.29 -35.15 61.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.26 179.524 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -65.32 -40.66 94.0 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 178.879 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.57 -48.11 65.09 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.371 -0.832 . . . . 0.0 110.051 179.373 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 48.0 t -53.44 -46.09 69.71 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 178.956 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.456 HG23 HG22 ' A' ' 98' ' ' VAL . 97.3 mt -60.54 -52.72 58.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.187 179.111 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.4 m -51.08 -37.97 48.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.256 -179.829 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -74.39 -36.74 63.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.905 0.383 . . . . 0.0 109.968 179.724 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? -69.9 -31.72 69.67 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 178.34 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 6.7 mmtp 61.62 71.05 0.56 Allowed 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 115.496 -0.774 . . . . 0.0 109.471 -178.751 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.456 HG22 HG23 ' A' ' 93' ' ' ILE . 25.8 m -130.21 162.55 37.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.321 -179.108 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.84 64.43 7.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.42 -179.633 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.9 mt -138.15 108.46 4.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.997 0.427 . . . . 0.0 110.621 179.179 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -136.08 152.05 50.46 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.471 -179.941 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.47 130.68 35.64 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.128 0.489 . . . . 0.0 112.004 -179.263 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 51.0 t0 -79.4 134.98 36.57 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 177.74 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 16.1 mtmt -86.93 -0.02 55.84 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -179.186 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 24.1 p -84.07 -14.55 50.18 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.666 0.27 . . . . 0.0 110.811 179.188 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -77.36 -169.94 1.58 Allowed 'General case' 0 C--O 1.231 0.107 0 CA-C-O 120.951 0.405 . . . . 0.0 111.66 -179.591 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.25 -71.08 0.5 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.151 -179.553 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 27.8 p80 -59.57 162.12 5.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.658 -179.332 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 49.2 mt -125.06 67.39 1.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.301 179.475 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -137.9 107.15 6.07 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.39 179.96 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 27.2 pt -78.62 -180.0 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.924 179.834 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 112' ' ' CYS . . . . . 0.429 ' HB2' ' HD3' ' A' ' 78' ' ' ARG . 12.5 p -96.62 160.07 14.59 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.686 179.924 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.401 ' HB2' ' NH2' ' A' ' 78' ' ' ARG . 2.0 m-20 -56.58 -37.31 70.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.949 0.404 . . . . 0.0 110.512 179.552 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -53.14 -62.03 1.92 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.384 -179.593 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 25.1 m170 -65.8 -28.31 68.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.498 -179.363 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.442 ' CD ' ' HB2' ' A' ' 83' ' ' ALA . 10.0 ttpp -63.51 -54.07 42.11 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.015 0.436 . . . . 0.0 110.527 179.815 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 18.1 t30 -63.95 -45.97 86.79 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.743 179.942 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.454 HD23 ' O ' ' A' ' 118' ' ' LEU . 4.1 tt -56.05 -54.43 45.0 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.973 -179.026 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.779 HG21 HG23 ' A' ' 89' ' ' ILE . 64.5 mt -71.72 -42.37 70.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 -177.939 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -73.88 -36.91 64.84 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 -178.416 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 50.1 m . . . . . 0 C--N 1.329 -0.316 0 N-CA-C 115.01 1.485 . . . . 0.0 115.01 -175.81 . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 . . . . . 0 N--CA 1.457 -0.114 0 CA-C-O 121.148 0.499 . . . . 0.0 111.537 . . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 65.0 mt -125.04 160.7 28.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.729 179.759 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.44 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 21.7 t -46.02 149.52 0.67 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.099 179.694 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 17.7 p -106.16 6.51 30.98 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 111.723 0.268 . . . . 0.0 111.723 179.82 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 85.4 mt -101.73 160.51 14.41 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 178.715 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.406 ' HD2' ' HB2' ' A' ' 103' ' ' ASP . 52.6 mtp180 -124.93 118.19 25.74 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.781 0.324 . . . . 0.0 111.211 -179.687 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -98.88 117.5 33.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.05 179.032 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 57.87 37.72 26.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.529 -179.13 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 80.36 -7.97 55.09 Favored Glycine 0 N--CA 1.451 -0.329 0 CA-C-N 115.872 -0.604 . . . . 0.0 113.197 179.691 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -99.24 132.99 44.17 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 117.248 0.524 . . . . 0.0 111.017 179.912 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.423 ' O ' ' N ' ' A' ' 77' ' ' GLY . 4.3 mmm180 -69.06 67.25 0.16 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.422 -0.808 . . . . 0.0 112.819 -178.174 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.44 ' HB3' ' HB3' ' A' ' 67' ' ' CYS . 12.3 t 37.43 -89.08 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 112.797 0.666 . . . . 0.0 112.797 178.1 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 124.05 -27.41 5.63 Favored Glycine 0 C--N 1.336 0.533 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.655 -179.52 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.465 ' HD3' ' HB2' ' A' ' 112' ' ' CYS . 44.9 ttt85 -77.73 148.53 34.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.656 0.265 . . . . 0.0 110.578 179.79 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.7 150.84 35.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.64 -179.621 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.91 157.1 37.3 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.079 179.252 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -109.66 -120.29 4.24 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.333 -0.937 . . . . 0.0 113.852 -178.838 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -124.49 -25.59 4.02 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -178.413 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -75.03 167.95 20.92 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.138 0.494 . . . . 0.0 111.951 -179.187 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.3 m -125.17 169.6 12.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.238 179.636 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -94.68 122.21 37.05 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.016 179.25 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 95.6 p -126.36 -162.42 1.14 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.733 -179.258 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.84 -44.52 18.31 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 178.752 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -51.49 -39.76 58.18 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.884 -179.091 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.6 HG23 HG21 ' A' ' 119' ' ' ILE . 54.1 mt -68.62 -35.35 69.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.001 0.429 . . . . 0.0 109.901 179.206 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -63.31 -48.29 78.68 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-O 121.777 0.799 . . . . 0.0 109.114 178.283 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.3 mmtp -61.32 -45.41 94.54 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 114.3 -1.318 . . . . 0.0 110.54 179.332 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 33.6 t -59.96 -41.15 91.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.044 179.078 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.519 HG23 HG22 ' A' ' 98' ' ' VAL . 87.2 mt -64.85 -45.53 94.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.912 178.917 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 20.0 t -52.5 -52.15 55.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.004 -179.937 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -59.2 -29.38 67.45 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.056 0.455 . . . . 0.0 110.016 179.723 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp -79.27 -38.56 35.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.946 178.813 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.48 77.48 0.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.276 -0.874 . . . . 0.0 109.628 -178.616 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.519 HG22 HG23 ' A' ' 93' ' ' ILE . 27.9 m -130.69 -178.78 2.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.558 -0.747 . . . . 0.0 111.264 -179.237 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -101.83 61.4 0.89 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.374 -179.51 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 67.8 mt -134.06 105.59 7.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.052 179.072 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -132.73 164.57 26.49 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.978 -179.797 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 13.3 tp -86.56 143.28 27.76 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.73 -179.459 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.406 ' HB2' ' HD2' ' A' ' 70' ' ' ARG . 23.5 t0 -95.38 150.63 20.06 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 177.87 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.88 2.27 56.63 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.114 0.412 . . . . 0.0 112.114 -179.263 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 6.7 m -82.16 -37.36 26.28 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.968 0.413 . . . . 0.0 110.726 179.684 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.95 131.74 43.37 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.622 -179.414 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.19 -37.78 15.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.37 179.941 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 19.2 p80 -80.06 157.3 26.75 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.98 0.419 . . . . 0.0 111.388 -179.457 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 83.8 mt -121.97 83.07 2.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.087 178.96 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -147.99 117.89 7.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.298 -179.831 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 30.8 pt -96.02 162.53 2.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.841 179.873 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 112' ' ' CYS . . . . . 0.465 ' HB2' ' HD3' ' A' ' 78' ' ' ARG . 8.2 p -75.02 171.3 14.34 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.595 179.689 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -72.93 -28.79 62.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.01 0.433 . . . . 0.0 110.68 179.882 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -59.52 -61.72 2.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.452 -179.627 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 22.4 m170 -64.01 -36.32 83.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.662 -179.311 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.66 -53.79 54.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.982 0.42 . . . . 0.0 110.817 179.948 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 34.3 t30 -65.64 -37.99 88.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.267 -179.428 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.46 HD23 ' O ' ' A' ' 118' ' ' LEU . 4.5 tt -62.44 -50.01 73.16 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.598 -179.5 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.6 HG21 HG23 ' A' ' 89' ' ' ILE . 75.7 mt -74.19 -45.47 47.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -178.079 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.86 -40.14 95.86 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 -178.252 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.8 t . . . . . 0 C--N 1.327 -0.383 0 N-CA-C 114.379 1.252 . . . . 0.0 114.379 -175.961 . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 . . . . . 0 N--CA 1.454 -0.23 0 CA-C-O 121.072 0.463 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 82.2 mt -139.41 148.97 43.52 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.36 179.349 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.4 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 44.5 t -49.75 150.94 1.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.829 179.85 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 71.8 m -117.13 27.24 9.24 Favored 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -178.915 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 75.7 mt -114.12 163.35 15.31 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 178.695 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.417 ' HA ' ' O ' ' A' ' 74' ' ' GLU . 37.2 mtp180 -124.68 123.2 39.51 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.405 -179.577 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.404 ' O ' ' HB2' ' A' ' 72' ' ' ASP . 30.3 tt0 -104.33 92.66 4.43 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 178.651 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.404 ' HB2' ' O ' ' A' ' 71' ' ' GLU . 8.6 m-20 66.88 43.39 2.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.757 -178.89 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 90.35 -19.61 42.49 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.928 -0.653 . . . . 0.0 113.099 179.352 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.417 ' O ' ' HA ' ' A' ' 70' ' ' ARG . 1.9 mm-40 -83.84 129.34 34.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.812 0.306 . . . . 0.0 111.368 -179.476 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 77' ' ' GLY . 1.8 tmm_? -81.93 59.64 4.41 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.45 -179.182 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.4 ' HB3' ' HB3' ' A' ' 67' ' ' CYS . 11.8 t 40.03 -84.23 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 113.221 0.823 . . . . 0.0 113.221 179.004 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 110.23 -23.96 19.51 Favored Glycine 0 C--N 1.333 0.4 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.168 -179.292 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 28.7 ttt85 -76.58 146.65 38.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.674 0.273 . . . . 0.0 110.341 179.726 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.84 157.48 21.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.652 -179.545 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.2 151.93 39.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.08 179.139 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -109.96 -135.58 7.16 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.358 -0.925 . . . . 0.0 113.885 -178.84 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -104.28 -10.27 17.97 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -178.812 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -83.43 170.21 14.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.072 0.463 . . . . 0.0 111.641 -179.462 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.0 p -139.15 140.08 37.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.6 179.605 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -63.61 125.3 23.82 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 179.088 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 93.1 p -129.64 -167.45 1.8 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.958 0.409 . . . . 0.0 111.316 -178.958 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -78.85 -41.19 30.61 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.587 179.609 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.58 -43.64 72.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.45 179.344 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 34.8 mt -65.75 -38.81 83.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.084 179.422 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.68 -51.83 65.66 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-O 121.636 0.731 . . . . 0.0 109.271 178.667 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -55.56 -40.35 71.82 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 114.667 -1.151 . . . . 0.0 109.928 178.941 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 14.9 t -61.17 -51.93 66.96 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.952 178.793 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.404 ' HA ' ' HD3' ' A' ' 96' ' ' LYS . 89.4 mt -53.0 -53.43 21.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.342 179.204 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 52.2 m -52.89 -40.36 63.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.055 -179.765 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -75.65 -18.34 59.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.884 0.374 . . . . 0.0 110.546 179.168 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.404 ' HD3' ' HA ' ' A' ' 93' ' ' ILE . 20.1 mtpp -84.92 -40.18 17.31 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-O 121.235 0.541 . . . . 0.0 110.099 178.711 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 7.2 tptt 71.66 72.46 0.17 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.417 -0.81 . . . . 0.0 109.336 -178.602 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 15.7 m -135.44 172.78 15.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.392 -179.1 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -93.46 63.69 3.54 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.388 -179.727 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 72.8 mt -129.33 117.97 44.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.525 179.372 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -133.78 159.84 39.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.452 179.595 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -77.8 123.84 27.22 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.063 0.459 . . . . 0.0 111.754 -179.526 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -77.04 111.57 12.75 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 178.134 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.29 -4.64 48.92 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.303 0.482 . . . . 0.0 112.303 -178.626 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 60.8 p -81.75 -3.68 54.41 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 121.164 -0.214 . . . . 0.0 111.552 179.88 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -72.92 -159.88 0.07 Allowed 'General case' 0 C--O 1.232 0.134 0 CA-C-O 120.918 0.39 . . . . 0.0 111.193 -179.798 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 15.0 mtp180 -138.78 4.44 2.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.362 178.973 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -163.02 -179.51 6.78 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 121.067 0.461 . . . . 0.0 111.434 -178.741 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 33.5 mt -118.54 81.9 1.76 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.802 178.312 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -141.96 120.52 12.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.573 179.852 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 43.4 pt -100.83 168.89 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.95 179.842 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 23.6 p -86.62 174.6 8.79 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.493 179.531 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -73.9 -28.71 61.68 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.468 179.605 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -58.96 -61.99 2.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.634 -179.408 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 22.2 m80 -66.23 -26.15 67.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.69 -179.314 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.85 -54.11 25.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.046 0.45 . . . . 0.0 110.658 179.801 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 32.9 t30 -69.86 -28.71 65.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.066 -179.748 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.566 HD23 ' O ' ' A' ' 118' ' ' LEU . 4.3 tt -72.9 -48.75 34.5 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.777 -179.089 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 67.8 mt -79.1 -41.97 23.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 113.275 0.843 . . . . 0.0 113.275 -177.952 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -62.65 -36.39 82.68 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 -178.238 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.327 -0.387 0 N-CA-C 114.841 1.422 . . . . 0.0 114.841 -175.653 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 121.108 0.48 . . . . 0.0 112.093 . . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 51.2 mt -116.52 152.13 34.73 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.201 179.069 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.432 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 41.4 t -47.23 154.75 0.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.13 -179.919 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.552 ' SG ' ' HB1' ' A' ' 106' ' ' ALA . 61.7 m -122.2 35.0 4.99 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 112.762 0.653 . . . . 0.0 112.762 -178.486 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 93.1 mt -121.62 165.76 15.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.862 0.363 . . . . 0.0 110.621 178.311 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.473 ' HG2' ' HD2' ' A' ' 75' ' ' ARG . 34.5 mtp180 -130.84 115.84 17.13 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.087 -179.953 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -101.19 108.08 19.65 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 178.99 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 55.32 27.07 9.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.747 -179.139 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 102.53 -4.99 51.19 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.806 -0.711 . . . . 0.0 113.4 179.314 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -92.79 123.46 36.08 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 117.219 0.509 . . . . 0.0 111.773 -179.555 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.473 ' HD2' ' HG2' ' A' ' 70' ' ' ARG . 5.8 mmm-85 -80.31 58.57 3.13 Favored 'General case' 0 C--O 1.227 -0.087 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.747 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.432 ' HB3' ' HB3' ' A' ' 67' ' ' CYS . 10.2 t 31.5 -85.87 0.0 OUTLIER 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 179.638 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 109.16 -21.16 27.4 Favored Glycine 0 C--N 1.336 0.544 0 C-N-CA 120.531 -0.842 . . . . 0.0 112.534 -179.613 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 35.3 ttt85 -71.92 147.66 46.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.842 0.353 . . . . 0.0 110.56 179.779 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.73 147.8 36.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.759 -179.426 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.98 150.42 45.68 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.119 179.05 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -109.96 -131.97 6.24 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.371 -0.918 . . . . 0.0 114.002 -178.632 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -115.97 18.09 15.67 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.605 -0.298 . . . . 0.0 111.773 -178.405 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -111.87 164.34 13.2 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.068 0.461 . . . . 0.0 111.775 -179.417 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 17.5 p -129.34 157.58 41.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.46 179.467 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -84.47 111.48 19.52 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.695 179.192 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 53.6 p -113.69 -171.52 1.91 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.055 0.455 . . . . 0.0 111.614 -178.641 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.43 -42.36 36.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.12 178.974 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.59 -41.23 61.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.122 179.545 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.636 HG23 HG21 ' A' ' 119' ' ' ILE . 76.1 mt -71.43 -38.43 68.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.212 179.436 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.96 -42.2 93.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.319 0.581 . . . . 0.0 109.654 178.902 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.04 -54.43 11.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.155 179.594 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 19.9 t -51.26 -31.47 21.16 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.07 0.462 . . . . 0.0 109.924 179.129 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.483 HG23 ' CG2' ' A' ' 98' ' ' VAL . 52.5 mt -73.6 -55.06 13.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.646 -0.707 . . . . 0.0 109.977 178.799 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.5 t -51.43 -30.46 19.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.151 -179.463 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -83.72 -33.11 25.18 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.91 0.386 . . . . 0.0 109.964 179.52 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 12.0 mtpp -62.52 -25.58 68.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.16 178.511 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.88 63.37 0.39 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.539 -178.82 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.483 ' CG2' HG23 ' A' ' 93' ' ' ILE . 25.6 m -132.65 160.39 42.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.039 -179.401 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 5.6 mttm -95.64 69.52 2.97 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.552 -179.588 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 37.1 mt -126.5 108.29 18.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.363 179.146 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -120.93 166.79 13.32 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.604 179.774 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.686 HD12 ' H ' ' A' ' 103' ' ' ASP . 23.4 tp -89.91 143.47 26.76 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.211 0.529 . . . . 0.0 111.736 -179.605 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.686 ' H ' HD12 ' A' ' 102' ' ' LEU . 32.5 t70 -101.6 136.49 41.35 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 178.109 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 8.7 mmtp -92.75 -21.42 19.95 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -178.707 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 98.4 p -90.03 23.13 2.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.631 0.253 . . . . 0.0 111.087 179.953 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.552 ' HB1' ' SG ' ' A' ' 68' ' ' CYS . . . -77.13 -90.06 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -178.816 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.437 ' HB3' ' CD2' ' A' ' 108' ' ' HIS . 4.2 ttm180 174.21 -27.75 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.802 -177.228 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 108' ' ' HIS . . . . . 0.437 ' CD2' ' HB3' ' A' ' 107' ' ' ARG . 11.2 p80 -169.53 -169.04 0.86 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.446 -179.591 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 24.0 mt -118.14 70.2 0.8 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.115 0.483 . . . . 0.0 109.965 178.573 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.41 ' HB2' ' CE1' ' A' ' 108' ' ' HIS . 53.9 m-85 -135.95 122.93 21.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.23 -179.644 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 34.4 pt -105.32 161.33 5.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.948 -179.877 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 7.9 p -75.24 171.57 13.95 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.467 179.568 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -70.31 -36.09 74.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.065 0.46 . . . . 0.0 110.476 179.725 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -48.77 -61.63 1.94 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.3 179.989 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 21.3 m170 -62.55 -28.64 70.0 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.748 -179.087 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 16.6 ttpp -64.3 -53.29 51.27 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.986 0.422 . . . . 0.0 110.653 179.68 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -67.07 -34.13 77.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.187 -179.676 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.543 ' C ' HD23 ' A' ' 118' ' ' LEU . 7.0 tt -67.62 -50.2 59.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.064 -0.516 . . . . 0.0 112.03 -179.115 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.636 HG21 HG23 ' A' ' 89' ' ' ILE . 64.3 mt -74.05 -47.73 40.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 113.145 0.795 . . . . 0.0 113.145 -178.082 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -59.09 -42.2 89.91 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 -178.35 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 49.5 m . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 -175.861 . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 . . . . . 0 CA--C 1.521 -0.138 0 CA-C-O 121.012 0.434 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -108.48 141.05 40.92 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.28 0.562 . . . . 0.0 111.512 179.921 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 42.4 t -44.11 143.76 1.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.386 -179.811 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 28.4 p -101.04 24.18 9.73 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.319 -179.94 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.436 HD12 ' ND1' ' A' ' 115' ' ' HIS . 88.6 mt -110.98 150.15 29.67 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 178.851 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.417 ' HA ' ' O ' ' A' ' 74' ' ' GLU . 9.3 mtp180 -119.77 111.9 18.57 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.842 0.353 . . . . 0.0 111.354 -179.393 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -94.93 103.21 15.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.259 179.334 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 69.25 46.63 0.77 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.868 -179.543 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 74.15 -4.62 31.23 Favored Glycine 0 CA--C 1.521 0.421 0 C-N-CA 120.907 -0.663 . . . . 0.0 113.358 179.671 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.417 ' O ' ' HA ' ' A' ' 70' ' ' ARG . 25.8 mm-40 -101.35 135.34 43.0 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 117.247 0.524 . . . . 0.0 110.807 -179.53 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.478 ' O ' ' N ' ' A' ' 77' ' ' GLY . 10.9 tpp85 -69.85 61.89 0.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.33 -178.405 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 6.9 t 48.87 -79.32 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 178.45 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 114.04 -24.22 11.98 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 120.676 -0.773 . . . . 0.0 111.963 -179.196 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 46.9 ttt85 -89.03 147.54 24.21 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 179.297 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -77.93 146.96 35.23 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.919 0.39 . . . . 0.0 111.528 -178.911 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.28 154.37 8.2 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.726 179.69 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -130.51 -132.03 3.38 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.161 -1.019 . . . . 0.0 114.049 -178.976 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -101.47 64.63 1.01 Allowed 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 111.925 0.342 . . . . 0.0 111.925 -178.348 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -163.48 179.67 7.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.975 0.417 . . . . 0.0 111.447 179.872 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 33.8 p -145.94 177.26 9.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.566 179.782 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -106.3 124.06 49.0 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.592 179.042 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 64.5 p -127.46 -169.33 2.03 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.982 0.42 . . . . 0.0 111.635 -178.479 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.411 ' H ' ' HG2' ' A' ' 87' ' ' LYS . 2.9 mmtm -76.32 -44.04 38.59 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.858 179.065 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.5 tmm_? -52.1 -37.88 55.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.684 -179.682 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.454 HG23 HD13 ' A' ' 119' ' ' ILE . 25.3 mt -69.43 -38.08 76.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.218 179.524 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -63.1 -44.53 95.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.192 0.52 . . . . 0.0 109.717 178.849 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -65.63 -47.55 75.23 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.78 179.254 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 35.5 t -54.06 -48.37 70.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.928 179.247 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 95.6 mt -64.42 -40.26 88.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.965 178.923 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 19.1 t -53.51 -53.97 43.92 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.972 179.941 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 48.8 tp60 -57.71 -38.31 75.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.998 0.427 . . . . 0.0 110.043 179.81 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.6 mttm -67.17 -42.89 83.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.828 178.695 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 62.02 75.87 0.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.262 -0.881 . . . . 0.0 109.476 -178.574 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 20.3 m -127.82 -179.47 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.078 -179.245 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 7.2 mttp -91.15 55.95 3.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.951 0.405 . . . . 0.0 111.333 -179.737 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 62.9 mt -129.53 124.36 59.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.179 179.035 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -148.0 168.48 22.2 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.618 -179.545 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 34.2 tp -84.72 140.83 31.0 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.372 0.606 . . . . 0.0 111.332 179.697 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -79.6 144.34 33.92 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 177.752 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm -93.95 -29.88 15.03 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.623 -0.431 . . . . 0.0 111.428 -179.42 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 51.8 m -62.37 -36.23 81.63 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.161 179.993 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.5 153.72 38.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.878 -179.241 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.3 -76.5 0.53 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.308 -179.976 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -53.86 176.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.547 -179.157 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 89.1 mt -133.22 82.36 1.99 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.417 -0.811 . . . . 0.0 109.769 178.916 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -139.63 126.23 20.49 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.809 -179.138 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 28.5 pt -104.89 177.99 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.95 -179.802 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 7.8 p -93.14 165.2 12.94 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.369 179.515 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -64.31 -29.53 70.61 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.15 0.5 . . . . 0.0 110.259 179.744 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -56.73 -59.54 4.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.317 179.859 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 115' ' ' HIS . . . . . 0.436 ' ND1' HD12 ' A' ' 69' ' ' LEU . 15.9 m170 -66.23 -36.41 82.97 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.695 -179.425 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 12.1 ttpp -58.04 -53.03 62.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.146 0.498 . . . . 0.0 110.592 179.714 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 45.7 t30 -68.15 -35.38 77.98 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.219 -179.42 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.567 HD23 ' O ' ' A' ' 118' ' ' LEU . 2.1 tt -65.7 -41.99 91.72 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.631 -179.341 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.454 HD13 HG23 ' A' ' 89' ' ' ILE . 75.4 mt -86.14 -35.83 9.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 -177.99 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -73.35 -32.19 64.39 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 113.523 0.934 . . . . 0.0 113.523 -178.165 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.6 m . . . . . 0 C--N 1.329 -0.284 0 N-CA-C 114.488 1.292 . . . . 0.0 114.488 -176.577 . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 . . . . . 0 CA--C 1.52 -0.206 0 CA-C-O 121.023 0.439 . . . . 0.0 111.311 . . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -115.75 155.28 28.07 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.025 -179.812 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 29.6 t -46.13 152.54 0.39 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.487 -179.813 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 25.1 p -114.18 18.64 16.95 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.377 179.796 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 72.2 mt -111.59 156.25 22.07 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 178.994 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.412 ' O ' ' HA ' ' A' ' 100' ' ' ILE . 37.0 mtt180 -120.02 128.97 54.02 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.774 0.321 . . . . 0.0 111.343 -179.42 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -109.41 107.92 18.26 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 178.762 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 59.48 36.13 22.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.724 -179.274 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 88.45 -15.09 57.88 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.81 -0.71 . . . . 0.0 113.097 179.639 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -89.64 135.86 33.37 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.044 0.449 . . . . 0.0 111.244 -179.64 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 6.9 tpp85 -77.3 67.53 3.26 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.556 -178.431 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 11.0 t 37.01 -101.5 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 178.357 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 138.34 -29.59 2.59 Favored Glycine 0 C--N 1.336 0.577 0 C-N-CA 120.425 -0.893 . . . . 0.0 112.234 -179.52 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 44.6 ttt180 -80.01 136.98 36.72 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 179.076 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.95 159.42 11.45 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.968 0.413 . . . . 0.0 111.57 -178.924 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.55 167.94 10.03 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.713 -179.443 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -132.51 -137.08 3.89 Favored Glycine 0 C--N 1.334 0.423 0 C-N-CA 120.539 -0.839 . . . . 0.0 113.804 -179.196 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -107.27 4.97 27.15 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 112.284 0.476 . . . . 0.0 112.284 -178.449 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.6 ' HB2' ' HD3' ' A' ' 116' ' ' LYS . . . -93.84 177.27 6.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.17 0.51 . . . . 0.0 111.595 -179.375 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 36.0 p -142.81 155.94 44.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.496 179.639 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -82.22 124.24 29.74 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 179.116 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 64.5 p -129.39 -175.92 3.73 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.12 0.486 . . . . 0.0 111.722 -179.052 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 16.7 ptmt -75.03 -38.69 61.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.013 179.17 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.55 -46.05 77.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.95 179.05 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.884 HG23 HG21 ' A' ' 119' ' ' ILE . 19.7 mt -60.8 -43.33 95.16 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 178.685 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -55.19 -49.12 72.71 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.009 -0.542 . . . . 0.0 109.826 178.885 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -57.06 -47.24 81.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.93 179.511 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.412 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 3.3 m -53.56 -52.95 58.1 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.178 -0.464 . . . . 0.0 109.806 178.944 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 66.3 mt -53.1 -55.34 12.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.257 179.066 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 40.6 t -49.58 -45.22 47.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.052 -179.941 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 44.4 tp60 -61.3 -42.31 98.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.05 179.591 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.412 ' HG3' ' O ' ' A' ' 92' ' ' SER . 3.4 mtpm? -71.16 -31.54 67.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.982 178.923 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 6.7 tptm 58.12 71.42 0.58 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.429 -178.515 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 29.2 m -127.81 169.85 18.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.257 -179.218 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -86.05 71.76 10.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.473 -179.713 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.412 ' HA ' ' O ' ' A' ' 70' ' ' ARG . 40.0 mt -142.15 104.07 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.463 179.339 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.2 pm0 -121.63 178.5 4.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.621 179.761 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.483 ' HG ' ' N ' ' A' ' 103' ' ' ASP . 0.6 OUTLIER -93.57 142.8 26.94 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.259 0.552 . . . . 0.0 112.198 -179.196 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.483 ' N ' ' HG ' ' A' ' 102' ' ' LEU . 11.3 t70 -82.48 129.6 34.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.391 -0.822 . . . . 0.0 108.889 177.559 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.423 ' HB2' ' HE3' ' A' ' 104' ' ' LYS . 43.3 mtmt -90.05 -16.1 30.43 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 121.014 -0.274 . . . . 0.0 111.734 -179.63 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.2 p -87.2 18.21 3.83 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.567 0.223 . . . . 0.0 111.007 179.576 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -88.21 175.15 7.82 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-O 121.288 0.566 . . . . 0.0 111.483 -179.736 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -131.12 1.85 4.26 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.298 -0.864 . . . . 0.0 111.306 179.557 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 29.7 p80 -149.96 164.35 35.69 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 120.868 0.366 . . . . 0.0 110.744 -179.466 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 93.8 mt -120.33 72.66 0.96 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.052 179.217 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -137.97 112.03 8.47 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.421 -179.927 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 32.7 pt -87.8 173.1 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.951 179.956 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 8.4 p -89.81 165.15 14.31 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.625 179.652 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.16 -38.9 88.11 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.09 0.471 . . . . 0.0 110.356 179.746 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.433 ' O ' ' HB2' ' A' ' 118' ' ' LEU . 85.6 t80 -49.68 -62.63 1.45 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.276 -179.755 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 13.7 m170 -64.57 -26.65 68.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.773 -179.062 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.6 ' HD3' ' HB2' ' A' ' 83' ' ' ALA . 13.4 ttpp -66.49 -54.66 21.43 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.863 -179.982 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -71.28 -27.47 63.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.127 -179.283 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.433 ' HB2' ' O ' ' A' ' 114' ' ' TYR . 3.1 tt -74.05 -43.44 57.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.692 -179.15 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.884 HG21 HG23 ' A' ' 89' ' ' ILE . 77.2 mt -84.35 -36.94 12.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 -178.075 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.429 ' HB2' ' O ' ' A' ' 116' ' ' LYS . 5.6 mt-30 -66.67 -34.3 77.56 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 -178.74 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 57.8 m . . . . . 0 C--N 1.326 -0.439 0 N-CA-C 114.741 1.385 . . . . 0.0 114.741 -175.927 . . . . . . . . 0 0 . 1 . 038 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 . . . . . 0 N--CA 1.457 -0.108 0 CA-C-O 121.046 0.45 . . . . 0.0 111.28 . . . . . . . . . 0 0 . 1 . 038 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 79' ' ' ALA . 85.9 mt -131.61 145.56 51.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.6 179.666 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.453 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 36.8 t -48.69 139.13 9.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.808 179.735 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.49 ' HA ' ' NH1' ' A' ' 75' ' ' ARG . 52.8 m -109.41 31.93 5.39 Favored 'General case' 0 N--CA 1.462 0.127 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -178.715 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 94.2 mt -111.97 155.63 23.42 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 178.694 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.413 ' HA ' ' O ' ' A' ' 74' ' ' GLU . 11.8 mtp180 -123.95 108.27 12.23 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.773 0.321 . . . . 0.0 111.439 -179.761 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.423 ' O ' ' HB2' ' A' ' 74' ' ' GLU . 34.5 tt0 -99.87 113.19 25.56 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.156 179.164 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 52.04 46.08 27.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.016 0.436 . . . . 0.0 110.739 -179.353 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 78.99 0.47 82.34 Favored Glycine 0 CA--C 1.519 0.305 0 C-N-CA 120.881 -0.676 . . . . 0.0 113.346 179.396 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.423 ' HB2' ' O ' ' A' ' 71' ' ' GLU . 17.7 mm-40 -101.01 124.82 47.32 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 117.286 0.543 . . . . 0.0 111.509 -179.955 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.583 ' O ' ' N ' ' A' ' 77' ' ' GLY . 2.4 mmm180 -85.53 55.33 3.46 Favored 'General case' 0 C--O 1.223 -0.336 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.914 -179.914 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.453 ' HB3' ' HB3' ' A' ' 67' ' ' CYS . 0.5 OUTLIER 39.23 -73.27 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 179.923 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.583 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 96.81 -24.46 30.92 Favored Glycine 0 N--CA 1.449 -0.46 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 -179.144 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 37.7 ttt180 -69.96 143.63 52.59 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.424 -0.388 . . . . 0.0 110.553 179.433 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.433 ' HA ' HD23 ' A' ' 66' ' ' LEU . . . -62.15 148.63 43.87 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.623 -179.613 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.86 154.37 41.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.639 178.789 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -131.68 -151.86 7.02 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 119.816 -1.183 . . . . 0.0 113.936 -178.831 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -85.25 60.26 6.13 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.06 -0.57 . . . . 0.0 111.282 -178.792 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.835 ' HB2' ' HD3' ' A' ' 116' ' ' LYS . . . -151.67 164.97 35.79 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.209 179.938 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.3 m -140.2 165.58 27.0 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.318 179.866 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -96.82 94.67 7.39 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 178.853 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 64.0 p -100.05 -170.38 1.87 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.141 -179.27 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.26 -43.46 33.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.461 178.688 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -51.45 -36.7 45.18 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 120.99 0.424 . . . . 0.0 110.029 179.981 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.812 HG23 HG21 ' A' ' 119' ' ' ILE . 26.2 mt -69.68 -43.29 80.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.696 178.788 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -58.45 -37.64 75.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.98 179.095 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.52 -46.0 64.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.851 179.322 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.462 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 8.2 t -54.94 -37.95 67.1 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.563 179.014 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 79.7 mt -73.63 -41.94 55.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.523 179.079 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.21 -36.17 72.72 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.261 -179.863 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -77.63 -25.86 50.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.815 0.341 . . . . 0.0 110.436 179.778 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.462 ' HG3' ' O ' ' A' ' 92' ' ' SER . 1.4 mtpp -81.94 -49.72 9.97 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.263 178.806 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.417 ' HB2' ' O ' ' A' ' 96' ' ' LYS . 49.4 mmtt 70.46 72.72 0.21 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.372 -178.012 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 16.0 m -122.51 174.02 7.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.507 -0.769 . . . . 0.0 111.53 -179.154 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 5.8 mttm -83.85 57.08 3.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.674 -179.6 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 79.4 mt -121.32 135.83 60.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.318 179.236 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -154.59 179.92 8.59 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.643 179.465 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 5.1 tp -110.48 135.44 51.16 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.158 0.504 . . . . 0.0 111.705 -179.714 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -83.66 144.39 29.44 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 177.969 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 3.8 mmmp? -96.71 -6.57 36.08 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -178.645 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 21.5 p -82.73 3.45 29.19 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 121.124 -0.23 . . . . 0.0 111.104 179.301 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -74.61 -158.91 0.08 Allowed 'General case' 0 N--CA 1.456 -0.15 0 CA-C-O 120.994 0.426 . . . . 0.0 111.548 -179.292 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -159.36 21.93 0.19 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.362 179.355 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 16.0 p80 -174.74 175.74 2.38 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 120.977 0.417 . . . . 0.0 110.871 -178.405 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 54.2 mt -126.63 66.05 1.25 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.162 179.31 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 55.7 m-85 -128.83 100.33 5.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.328 179.877 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 36.9 pt -81.74 173.44 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.938 179.864 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 20.9 p -84.97 176.0 8.72 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.585 179.616 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -73.03 -37.53 66.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.972 0.415 . . . . 0.0 110.441 179.421 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -48.42 -57.86 5.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.193 -179.99 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 15.2 m80 -66.89 -37.12 83.8 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -179.294 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.835 ' HD3' ' HB2' ' A' ' 83' ' ' ALA . 13.7 ttpp -56.01 -52.64 63.5 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.962 0.411 . . . . 0.0 110.271 179.672 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -65.11 -45.99 82.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.846 179.805 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.644 HD23 ' O ' ' A' ' 118' ' ' LEU . 3.3 tt -56.53 -44.82 81.19 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.946 -179.125 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.812 HG21 HG23 ' A' ' 89' ' ' ILE . 77.5 mt -79.16 -49.78 19.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 -177.932 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -64.08 -19.75 65.46 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 -178.405 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 8.4 t . . . . . 0 C--N 1.328 -0.335 0 N-CA-C 114.429 1.27 . . . . 0.0 114.429 -176.537 . . . . . . . . 0 0 . 1 . 039 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.92 0.391 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 039 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.485 ' HA ' ' HA ' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -136.36 168.86 18.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.19 -0.459 . . . . 0.0 112.081 179.893 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 48.3 t -79.09 145.72 33.63 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.934 -179.624 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 28.3 p -109.81 30.3 6.81 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -179.157 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.491 HD12 ' CG ' ' A' ' 115' ' ' HIS . 55.3 mt -109.86 159.53 17.15 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 177.8 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.401 ' HA ' ' O ' ' A' ' 74' ' ' GLU . 27.8 mtm180 -122.06 113.91 20.2 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.499 -0.318 . . . . 0.0 111.281 -179.747 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -105.27 103.2 12.69 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 178.864 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 64.97 48.66 2.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.559 -179.244 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 71.54 3.11 53.06 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.857 -0.687 . . . . 0.0 113.253 179.745 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.401 ' O ' ' HA ' ' A' ' 70' ' ' ARG . 5.7 mm-40 -105.14 134.35 48.38 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 117.16 0.48 . . . . 0.0 111.396 -179.838 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.47 ' O ' ' N ' ' A' ' 77' ' ' GLY . 0.0 OUTLIER -77.38 60.02 1.95 Allowed 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.34 -179.378 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 5.7 t 44.14 -80.93 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 178.948 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 108.16 -26.89 15.57 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.578 -0.82 . . . . 0.0 111.695 -178.896 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 30.3 ttt85 -78.63 134.37 37.17 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 179.152 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.485 ' HA ' ' HA ' ' A' ' 66' ' ' LEU . . . -56.34 158.91 3.89 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.873 0.368 . . . . 0.0 111.888 -178.75 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.41 160.94 31.02 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.138 -179.884 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -122.32 -126.27 3.19 Favored Glycine 0 C--N 1.333 0.363 0 C-N-CA 120.344 -0.931 . . . . 0.0 114.083 -178.943 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -107.5 -36.11 6.56 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -178.11 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.77 154.85 35.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.033 0.444 . . . . 0.0 111.659 -179.353 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 28.8 p -122.36 167.72 12.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.508 179.449 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -90.15 110.23 21.26 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.758 179.144 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 59.8 p -118.42 -158.15 0.71 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.336 -178.809 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.41 ' O ' ' HB3' ' A' ' 90' ' ' GLN . 1.4 mttp -79.89 -51.51 9.03 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-O 121.371 0.605 . . . . 0.0 111.524 179.362 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -51.81 -43.43 63.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.103 -179.056 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 9.8 mt -64.56 -36.69 78.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 C-N-CA 120.662 -0.415 . . . . 0.0 109.95 179.128 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.41 ' HB3' ' O ' ' A' ' 87' ' ' LYS . 0.9 OUTLIER -64.48 -52.71 56.53 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-O 121.555 0.693 . . . . 0.0 109.27 178.785 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.404 ' HG2' ' OE1' ' A' ' 90' ' ' GLN . 1.1 mmmp? -55.6 -42.84 75.42 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 114.599 -1.182 . . . . 0.0 110.121 179.064 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.432 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 3.2 m -58.77 -50.95 72.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.723 178.595 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 85.4 mt -61.5 -31.37 50.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.396 179.262 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.414 ' O ' ' HG2' ' A' ' 97' ' ' LYS . 2.6 t -62.98 -49.5 74.45 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.36 -179.958 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -68.5 -30.81 69.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.034 0.445 . . . . 0.0 110.196 179.793 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' A' ' 92' ' ' SER . 15.1 mtpp -72.81 -39.18 66.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.613 179.45 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.414 ' HG2' ' O ' ' A' ' 94' ' ' SER . 9.1 mmtp 57.95 70.49 0.65 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.809 -178.844 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 15.4 m -124.81 159.24 31.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.048 -179.36 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 3.6 mttp -72.46 59.57 0.44 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.856 0.36 . . . . 0.0 111.233 -179.895 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 53.6 mt -138.1 109.48 5.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.968 179.599 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -139.07 166.34 24.76 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.338 179.714 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -80.61 143.28 33.26 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.935 -179.199 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -99.47 117.52 34.06 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 178.089 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 20.6 mtmm -75.72 -19.2 59.26 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 111.746 0.276 . . . . 0.0 111.746 -178.768 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 57.5 p -83.6 7.81 16.16 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 121.228 -0.189 . . . . 0.0 111.33 179.679 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.406 ' O ' ' HB2' ' A' ' 107' ' ' ARG . . . -75.43 -99.85 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 111.63 0.233 . . . . 0.0 111.63 -179.476 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.406 ' HB2' ' O ' ' A' ' 106' ' ' ALA . 35.1 ttt-85 176.08 -63.36 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.179 0 CA-C-O 121.217 0.532 . . . . 0.0 110.616 -178.804 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 27.2 p80 -115.54 -155.34 0.57 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.659 -179.078 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 67.7 mt -126.48 -118.76 0.26 Allowed 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 178.651 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 55.73 97.82 0.02 OUTLIER 'General case' 0 C--N 1.34 0.192 0 CA-C-O 120.985 0.421 . . . . 0.0 111.727 179.35 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 28.6 pt -88.01 155.68 3.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.408 179.35 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 16.1 p -74.18 164.09 27.04 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.73 179.818 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -64.37 -32.98 74.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.102 0.477 . . . . 0.0 110.229 179.566 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -52.59 -56.48 15.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.296 179.937 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 115' ' ' HIS . . . . . 0.491 ' CG ' HD12 ' A' ' 69' ' ' LEU . 14.7 m80 -68.96 -38.77 79.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.663 -179.383 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 16.1 ttpp -52.76 -52.54 56.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.103 0.478 . . . . 0.0 110.56 179.753 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -68.95 -45.15 71.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.356 -179.466 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.535 HD23 ' O ' ' A' ' 118' ' ' LEU . 5.8 tt -55.74 -35.93 66.7 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.719 -179.43 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 87.5 mt -92.56 -39.92 11.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 113.21 0.818 . . . . 0.0 113.21 -177.971 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -73.02 -41.85 63.81 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 -177.937 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--N 1.325 -0.459 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 -175.014 . . . . . . . . 0 0 . 1 . 040 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 121.068 0.461 . . . . 0.0 111.639 . . . . . . . . . 0 0 . 1 . 040 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 42.9 mt -135.73 137.5 41.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.717 179.968 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.401 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 44.3 t -40.69 147.01 0.13 Allowed 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.357 179.665 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 21.8 m -110.48 30.21 7.0 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -179.085 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 74.0 mt -113.55 141.38 47.23 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 178.342 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.44 ' NH2' ' HA2' ' A' ' 73' ' ' GLY . 55.9 mtp180 -109.61 114.29 27.78 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.943 0.402 . . . . 0.0 111.649 -179.21 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -96.69 104.64 16.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.911 179.155 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 57.0 42.28 26.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.032 0.444 . . . . 0.0 110.511 -179.468 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.44 ' HA2' ' NH2' ' A' ' 70' ' ' ARG . . . 84.15 0.96 89.67 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.772 -0.728 . . . . 0.0 113.129 179.921 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -104.15 123.87 48.06 Favored 'General case' 0 CA--C 1.521 -0.14 0 CA-C-N 117.121 0.46 . . . . 0.0 111.273 179.95 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' A' ' 77' ' ' GLY . 1.8 mmm-85 -75.16 60.49 1.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.471 -179.139 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.401 ' HB3' ' HB3' ' A' ' 67' ' ' CYS . 18.7 t 39.81 -82.37 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 179.008 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 115.31 -31.34 6.26 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.803 -0.713 . . . . 0.0 111.723 -179.383 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.415 ' HD3' ' HB2' ' A' ' 112' ' ' CYS . 11.8 ttt85 -67.14 144.24 56.16 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 179.645 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.41 160.96 7.96 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.778 0.323 . . . . 0.0 111.154 -179.863 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -79.53 145.14 33.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 109.989 178.971 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -104.32 -137.01 9.05 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.442 -0.885 . . . . 0.0 114.032 -178.442 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -110.34 2.81 19.31 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -178.354 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.444 ' HB2' ' CD ' ' A' ' 116' ' ' LYS . . . -88.66 168.88 12.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.032 0.444 . . . . 0.0 111.69 -179.486 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.3 m -129.37 162.15 28.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.369 179.702 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -98.15 117.38 32.39 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 178.942 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 68.0 p -122.99 -164.46 1.2 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.252 -179.11 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.49 ' HD3' ' N ' ' A' ' 87' ' ' LYS . 0.3 OUTLIER -80.71 -40.53 25.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.433 179.092 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.54 -38.37 71.77 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.889 -179.96 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.65 HG23 HG21 ' A' ' 119' ' ' ILE . 29.7 mt -71.54 -40.51 71.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.148 179.16 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.08 -37.79 86.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.803 178.878 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.54 -47.86 65.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.755 179.306 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 14.0 t -55.14 -40.83 71.02 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.966 178.975 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.41 HD11 HD13 ' A' ' 119' ' ' ILE . 96.9 mt -67.76 -44.1 85.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.139 179.021 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 36.5 m -57.38 -53.86 53.37 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.081 -179.962 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 21.1 tp60 -63.21 -37.84 88.82 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 179.574 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 8.4 mtpp -56.34 -39.33 72.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.019 178.844 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 10.9 mttt 67.1 78.23 0.25 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.618 -179.035 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 14.0 m -142.54 -178.18 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.108 -179.17 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 33.1 mttm -103.9 68.44 0.91 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.966 0.412 . . . . 0.0 111.486 -179.768 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 40.0 mt -142.46 103.92 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.218 179.166 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -125.16 159.09 32.34 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.444 179.533 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.407 HD23 ' HE3' ' A' ' 104' ' ' LYS . 2.7 tp -76.67 132.88 39.63 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.097 0.475 . . . . 0.0 111.811 -179.563 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -80.9 113.18 18.93 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 178.094 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.407 ' HE3' HD23 ' A' ' 102' ' ' LEU . 3.1 mmpt? -71.82 -12.01 61.08 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -178.944 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 78.5 p -94.59 31.99 1.68 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.781 0.324 . . . . 0.0 110.717 179.703 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -103.0 -152.47 0.45 Allowed 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.382 -179.602 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.4 ' HB2' ' CZ ' ' A' ' 107' ' ' ARG . 0.0 OUTLIER -134.03 -76.75 0.47 Allowed 'General case' 0 N--CA 1.456 -0.172 0 CA-C-O 121.189 0.518 . . . . 0.0 111.37 -179.843 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 29.9 p80 -86.89 175.77 8.01 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.582 -0.735 . . . . 0.0 112.05 -178.752 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 39.8 mt -120.74 70.27 0.9 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.857 178.989 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -135.04 117.42 15.7 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.799 -179.418 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 25.5 pt -92.33 172.38 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.956 -179.887 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 112' ' ' CYS . . . . . 0.415 ' HB2' ' HD3' ' A' ' 78' ' ' ARG . 8.2 p -88.09 168.07 13.11 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.516 179.661 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -65.66 -35.7 81.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.027 0.442 . . . . 0.0 110.474 179.62 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -55.49 -61.22 2.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.18 -179.964 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 14.4 m170 -65.91 -26.96 67.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.763 -179.395 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.444 ' CD ' ' HB2' ' A' ' 83' ' ' ALA . 15.7 ttpp -67.19 -53.69 28.03 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.954 0.407 . . . . 0.0 110.559 179.669 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -68.45 -26.8 65.68 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.031 -179.589 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.484 ' C ' HD23 ' A' ' 118' ' ' LEU . 6.9 tt -75.21 -46.38 34.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.776 -179.354 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.65 HG21 HG23 ' A' ' 89' ' ' ILE . 64.1 mt -81.15 -45.58 20.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -178.142 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.406 ' HB2' ' O ' ' A' ' 116' ' ' LYS . 17.5 mt-30 -59.09 -37.43 77.11 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 -178.66 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 10.1 t . . . . . 0 CA--C 1.531 0.245 0 N-CA-C 114.419 1.266 . . . . 0.0 114.419 -176.342 . . . . . . . . 0 0 . 1 . 041 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.994 0.426 . . . . 0.0 111.3 . . . . . . . . . 0 0 . 1 . 041 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 52.2 mt -108.79 150.61 27.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.987 -179.966 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 46.9 t -51.84 144.55 11.19 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.864 179.627 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 27.6 p -106.35 20.78 18.46 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.849 0.357 . . . . 0.0 111.902 -179.64 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 88.4 mt -115.41 155.83 26.7 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 178.632 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 46.8 mtp180 -121.45 129.88 53.24 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.873 0.368 . . . . 0.0 111.291 -179.277 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -107.74 94.06 4.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.781 178.846 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 67.75 51.45 0.8 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.282 -179.039 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 72.68 9.15 74.02 Favored Glycine 0 N--CA 1.451 -0.356 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.981 179.936 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -109.35 120.22 41.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.948 0.404 . . . . 0.0 111.014 -179.378 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 77' ' ' GLY . 20.7 mmm-85 -76.06 60.12 1.39 Allowed 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.67 -178.813 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.43 ' SG ' ' CE1' ' A' ' 115' ' ' HIS . 0.1 OUTLIER 35.42 -85.56 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 113.801 1.037 . . . . 0.0 113.801 179.291 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 113.16 -29.35 8.06 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.705 -0.76 . . . . 0.0 111.822 -177.945 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 45.1 ttt85 -72.53 136.19 45.81 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.742 0.306 . . . . 0.0 110.485 179.435 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -50.46 157.02 0.77 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.003 0.43 . . . . 0.0 111.926 -179.327 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -86.13 147.13 26.29 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.135 178.988 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -107.98 -128.73 5.89 Favored Glycine 0 CA--C 1.518 0.267 0 C-N-CA 120.462 -0.875 . . . . 0.0 113.82 -178.694 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -108.74 15.11 23.89 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -178.852 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.446 ' HB2' ' HD3' ' A' ' 116' ' ' LYS . . . -100.62 154.77 18.3 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.058 0.456 . . . . 0.0 111.801 -179.431 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 28.6 p -119.51 -168.35 1.57 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.007 179.204 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -123.47 144.16 49.7 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.973 179.522 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 85.7 p -146.72 -174.54 4.5 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.022 0.439 . . . . 0.0 111.327 -179.292 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.406 ' HE3' ' HA ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -78.03 -39.86 40.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.735 178.849 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -54.29 -37.01 64.29 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.287 179.318 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.957 HG23 HG21 ' A' ' 119' ' ' ILE . 50.3 mt -72.65 -34.76 48.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.971 179.151 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -68.3 -36.89 80.04 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 121.473 0.654 . . . . 0.0 109.405 178.545 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.39 -44.97 77.58 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 114.86 -1.064 . . . . 0.0 109.941 179.512 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 25.1 t -61.9 -42.79 99.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.862 179.011 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 89' ' ' ILE . 97.0 mt -61.83 -41.47 90.82 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.122 179.031 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 53.9 m -59.5 -41.1 89.08 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 10.2 tp60 -64.7 -33.99 77.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.984 0.421 . . . . 0.0 110.08 179.209 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.85 -31.87 61.76 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.007 178.965 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 39.4 mmtt 61.46 69.86 0.63 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.563 -178.529 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 34.5 m -134.66 176.34 9.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.58 -0.737 . . . . 0.0 111.202 -179.222 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.7 mttm -94.5 75.27 3.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.253 -179.928 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 68.2 mt -144.79 99.22 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.492 179.307 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -139.79 165.16 28.04 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.312 179.686 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.9 135.87 40.12 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.179 0.514 . . . . 0.0 111.829 -179.172 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -86.55 123.14 31.43 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.096 178.411 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.9 mmmp? -67.14 -7.63 24.87 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -179.316 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 89.0 p -72.08 -26.23 62.07 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 120.593 0.235 . . . . 0.0 111.632 179.995 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -80.33 -164.06 0.64 Allowed 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -179.096 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.432 ' HB3' ' NH1' ' A' ' 107' ' ' ARG . 10.1 mtm105 -146.09 -61.96 0.32 Allowed 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.948 179.683 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 22.8 p80 -61.75 172.82 1.16 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.891 -178.971 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 83.5 mt -125.75 81.82 2.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.186 179.184 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -144.72 128.24 17.03 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.24 179.998 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 21.5 pt -118.55 163.48 15.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.908 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 8.3 p -82.38 160.63 22.75 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.464 179.559 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -60.85 -33.98 73.89 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.09 0.471 . . . . 0.0 110.199 179.924 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.428 ' O ' ' HB2' ' A' ' 118' ' ' LEU . 53.5 t80 -49.75 -54.43 18.98 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.003 179.904 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 115' ' ' HIS . . . . . 0.43 ' CE1' ' SG ' ' A' ' 76' ' ' CYS . 18.1 m170 -76.69 -37.25 56.48 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -179.245 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.446 ' HD3' ' HB2' ' A' ' 83' ' ' ALA . 7.5 ttpp -55.61 -44.91 77.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.075 0.464 . . . . 0.0 110.658 -179.967 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -79.65 -37.58 35.66 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.231 -178.806 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.662 HD23 ' O ' ' A' ' 118' ' ' LEU . 6.0 tt -61.45 -31.71 71.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.279 179.977 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.957 HG21 HG23 ' A' ' 89' ' ' ILE . 89.9 mt -92.27 -52.96 9.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 -178.321 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -52.86 -40.06 63.1 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 113.682 0.993 . . . . 0.0 113.682 -178.125 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 80.4 p . . . . . 0 N--CA 1.469 0.485 0 N-CA-C 115.135 1.532 . . . . 0.0 115.135 -175.81 . . . . . . . . 0 0 . 1 . 042 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 . . . . . 0 N--CA 1.456 -0.163 0 CA-C-O 121.021 0.439 . . . . 0.0 111.371 . . . . . . . . . 0 0 . 1 . 042 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 28.2 mt -117.97 169.56 9.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.973 -179.813 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.456 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 13.8 t -66.41 150.57 48.7 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.099 -179.924 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 20.6 p -105.98 -5.41 19.59 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.67 -0.241 . . . . 0.0 111.515 179.48 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 86.3 mt -95.04 153.93 17.41 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 178.969 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 52.9 mtp180 -124.25 125.22 44.03 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.939 -179.73 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -101.93 107.46 18.62 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.979 0.419 . . . . 0.0 110.334 179.439 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 58.97 44.55 16.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.954 -179.575 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 85.71 -19.34 25.27 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.786 -0.721 . . . . 0.0 113.058 179.674 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -82.5 121.32 26.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.85 0.325 . . . . 0.0 111.009 -179.749 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.558 ' O ' ' N ' ' A' ' 77' ' ' GLY . 1.2 mmm180 -76.53 58.96 1.42 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.316 -179.524 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.456 ' HB3' ' HB3' ' A' ' 67' ' ' CYS . 0.8 OUTLIER 40.22 -75.35 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 179.734 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.558 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 100.13 -25.35 28.63 Favored Glycine 0 N--CA 1.448 -0.515 0 N-CA-C 111.297 -0.721 . . . . 0.0 111.297 -178.939 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 45.8 ttt180 -69.06 147.55 51.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.812 0.339 . . . . 0.0 110.39 179.693 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.28 144.97 52.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.735 -179.316 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.38 152.53 44.87 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.01 179.115 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -114.51 -164.44 14.86 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.403 -0.903 . . . . 0.0 113.631 -178.93 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -84.85 13.15 6.19 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.637 -0.281 . . . . 0.0 111.747 -179.251 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -107.55 149.32 28.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.995 0.426 . . . . 0.0 111.278 179.936 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -125.59 134.47 51.92 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.71 179.77 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -49.1 112.65 0.66 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.15 179.11 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 11.6 p -115.19 -169.48 1.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.56 -178.63 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.426 ' NZ ' ' HB2' ' A' ' 87' ' ' LYS . 0.9 OUTLIER -77.26 -50.24 13.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.031 179.485 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.94 -39.31 62.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.661 -179.946 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 8.0 mt -66.92 -39.19 82.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 178.873 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 8.1 tm0? -59.72 -47.19 86.64 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.784 178.83 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.3 -41.73 97.48 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.006 179.488 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.421 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 27.2 t -57.67 -49.13 77.51 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 178.736 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 62.2 mt -57.02 -43.08 80.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.38 179.071 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.1 m -63.19 -37.8 88.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.157 -179.865 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -77.59 -37.06 51.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.945 0.403 . . . . 0.0 110.035 179.28 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.421 ' HG3' ' O ' ' A' ' 92' ' ' SER . 5.3 mtpm? -67.68 -38.01 83.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.148 178.9 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.25 78.43 0.25 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.633 -178.411 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 15.4 m -136.33 175.85 9.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.954 -179.354 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 12.9 mttm -88.92 70.35 8.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.934 0.397 . . . . 0.0 111.239 -179.701 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 45.2 mt -141.5 112.93 3.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.367 179.214 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -129.43 168.96 15.54 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.419 -179.702 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -95.92 118.51 32.69 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.112 0.482 . . . . 0.0 112.064 -179.544 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -69.55 129.82 40.75 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 177.897 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 5.1 mtpt -83.05 -10.41 58.74 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.875 -0.33 . . . . 0.0 111.804 -179.47 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 25.9 m -64.35 -35.87 82.27 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.857 0.361 . . . . 0.0 111.127 179.938 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.4 164.44 11.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.2 0.524 . . . . 0.0 112.095 -179.053 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 2.3 ttm-85 -116.85 -22.56 8.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.091 179.666 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 24.7 p80 -109.78 156.18 20.65 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.112 0.482 . . . . 0.0 111.726 -178.8 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 81.1 mt -115.48 79.99 1.37 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.82 178.886 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -141.09 98.0 3.29 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.126 -179.647 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 30.9 pt -77.91 164.45 3.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.896 -179.925 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 25.1 p -82.05 172.87 12.73 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.396 179.578 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -72.25 -33.28 67.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.208 0.528 . . . . 0.0 110.08 179.691 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.409 ' O ' ' HB2' ' A' ' 118' ' ' LEU . 59.1 t80 -50.63 -61.45 2.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.4 -179.954 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -67.36 -32.95 74.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.991 -179.109 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 13.7 ttpp -59.22 -54.29 48.64 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.947 0.403 . . . . 0.0 110.811 -179.937 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -67.0 -39.54 87.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.959 -179.825 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.409 ' HB2' ' O ' ' A' ' 114' ' ' TYR . 2.4 tt -60.91 -39.81 90.77 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.777 -179.116 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 66.2 mt -88.54 -38.34 11.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 113.334 0.865 . . . . 0.0 113.334 -177.809 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -70.81 -36.28 72.88 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 -178.289 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.7 m . . . . . 0 C--N 1.329 -0.325 0 N-CA-C 114.82 1.415 . . . . 0.0 114.82 -176.126 . . . . . . . . 0 0 . 1 . 043 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 . . . . . 0 N--CA 1.455 -0.196 0 CA-C-O 120.818 0.342 . . . . 0.0 110.675 . . . . . . . . . 0 0 . 1 . 043 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -128.43 145.25 51.15 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.243 0.544 . . . . 0.0 111.755 179.52 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 47.9 t -46.07 138.64 5.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.156 -0.929 . . . . 0.0 111.525 -179.67 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 19.6 p -99.68 25.36 7.24 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.355 -179.957 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.486 HD12 ' ND1' ' A' ' 115' ' ' HIS . 81.5 mt -111.34 148.01 33.9 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 178.944 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.45 ' HG2' ' HD3' ' A' ' 75' ' ' ARG . 61.1 mtp180 -114.04 108.39 16.94 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.515 -0.312 . . . . 0.0 111.321 -179.554 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -92.68 120.02 32.67 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 178.92 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 55.61 25.52 8.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.665 -179.066 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 95.51 -16.82 60.49 Favored Glycine 0 C--N 1.332 0.36 0 C-N-CA 120.949 -0.643 . . . . 0.0 113.257 179.361 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -88.4 140.78 29.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.043 0.449 . . . . 0.0 111.485 -179.564 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.473 ' O ' ' N ' ' A' ' 77' ' ' GLY . 1.0 OUTLIER -72.85 61.35 0.55 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.987 -178.722 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 5.2 t 45.19 -82.14 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 178.829 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 114.52 -24.07 11.6 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.127 -179.263 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 16.3 ttt180 -89.23 140.44 29.47 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.333 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.11 151.87 34.45 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.016 0.436 . . . . 0.0 111.745 -178.778 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.78 163.09 5.96 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.389 -179.757 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -124.65 -145.54 6.64 Favored Glycine 0 C--N 1.333 0.396 0 C-N-CA 120.505 -0.855 . . . . 0.0 113.872 -179.034 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.443 ' N ' ' OD1' ' A' ' 82' ' ' ASN . 0.7 OUTLIER -95.0 -13.88 24.85 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -178.41 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.439 ' HB2' ' HD3' ' A' ' 116' ' ' LYS . . . -81.18 164.14 22.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.213 0.53 . . . . 0.0 111.979 -179.174 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -130.33 165.38 22.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.2 179.62 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -95.99 136.98 35.71 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.107 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -145.14 -162.5 1.51 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.926 0.393 . . . . 0.0 111.186 -179.254 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.22 -42.16 32.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.073 179.266 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.3 ttm180 -52.68 -47.75 67.0 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.451 179.554 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.572 HG23 HG21 ' A' ' 119' ' ' ILE . 27.5 mt -63.98 -36.2 76.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.293 -0.412 . . . . 0.0 109.945 179.326 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -59.43 -49.19 78.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.654 0.74 . . . . 0.0 109.146 178.296 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.29 -51.74 64.86 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.448 -1.251 . . . . 0.0 110.439 179.359 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -49.81 -48.19 50.88 Favored 'General case' 0 N--CA 1.461 0.109 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.656 179.368 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.456 HG23 ' CG2' ' A' ' 98' ' ' VAL . 73.0 mt -60.8 -51.9 67.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.463 179.215 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.9 m -50.03 -34.28 20.89 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.311 -179.82 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -81.16 -39.15 25.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.002 0.429 . . . . 0.0 110.185 179.694 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.508 ' HE2' ' HA ' ' A' ' 119' ' ' ILE . 35.6 mttp -65.76 -37.7 87.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.388 178.814 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 65.76 75.12 0.35 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.474 -178.305 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.456 ' CG2' HG23 ' A' ' 93' ' ' ILE . 10.0 m -130.14 160.2 41.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.13 -179.38 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 25.1 mttm -80.57 61.03 4.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.919 0.39 . . . . 0.0 111.429 -179.601 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 72.1 mt -131.52 107.64 13.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.253 179.07 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -124.66 149.53 47.05 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.384 179.917 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -84.22 124.96 31.76 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.072 0.463 . . . . 0.0 111.819 -179.628 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -64.77 137.06 57.57 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 177.609 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 4.0 mmtp -91.29 -23.35 20.17 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.628 -179.263 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 11.3 p -82.92 7.56 15.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.686 -0.234 . . . . 0.0 111.399 179.822 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -63.67 179.21 0.5 Allowed 'General case' 0 CA--C 1.519 -0.221 0 CA-C-O 121.458 0.646 . . . . 0.0 111.869 -179.499 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -114.1 -19.13 11.49 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.879 -179.869 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 16.7 p80 -158.94 -159.91 0.81 Allowed 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.487 -178.369 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 83.1 mt -119.49 -117.31 0.32 Allowed 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 178.539 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 59.79 121.38 0.01 OUTLIER 'General case' 0 C--N 1.34 0.156 0 CA-C-O 121.202 0.525 . . . . 0.0 111.882 179.456 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 35.1 pt -114.36 154.68 15.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.319 179.309 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 18.1 p -76.72 155.04 33.57 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.626 179.88 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.73 -37.1 58.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.114 0.483 . . . . 0.0 110.439 179.648 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 36.3 t80 -49.8 -59.12 4.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.17 -179.573 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 115' ' ' HIS . . . . . 0.486 ' ND1' HD12 ' A' ' 69' ' ' LEU . 23.7 m170 -67.51 -38.69 84.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.624 -179.504 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.439 ' HD3' ' HB2' ' A' ' 83' ' ' ALA . 8.2 ttpp -55.17 -51.22 67.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.072 0.463 . . . . 0.0 110.51 179.678 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -68.82 -37.2 79.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.004 -179.967 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.642 HD23 ' O ' ' A' ' 118' ' ' LEU . 4.1 tt -65.6 -35.98 82.41 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.649 -179.247 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.572 HG21 HG23 ' A' ' 89' ' ' ILE . 72.9 mt -88.39 -41.4 14.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 -177.864 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -72.29 -34.58 68.27 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 -178.243 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 17.8 m . . . . . 0 C--N 1.328 -0.367 0 N-CA-C 114.913 1.449 . . . . 0.0 114.913 -176.326 . . . . . . . . 0 0 . 1 . 044 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 . . . . . 0 CA--C 1.522 -0.134 0 CA-C-O 120.813 0.339 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 044 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.08 140.86 49.15 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 121.401 0.62 . . . . 0.0 112.043 179.98 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 43.5 t -43.6 144.25 0.83 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 114.891 -1.049 . . . . 0.0 111.481 -179.81 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 31.2 p -105.78 24.99 11.4 Favored 'General case' 0 CA--C 1.528 0.126 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.439 -179.681 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 90.9 mt -113.07 149.04 34.02 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 178.445 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.471 ' HG2' ' HD3' ' A' ' 75' ' ' ARG . 17.1 mtp180 -113.79 142.36 46.17 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.908 0.385 . . . . 0.0 111.143 -179.527 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -121.64 99.39 6.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.868 178.912 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 65.15 29.98 11.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.586 -179.169 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 102.77 -22.43 37.18 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.802 -0.713 . . . . 0.0 113.382 179.232 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -88.6 126.59 35.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.277 0.561 . . . . 0.0 111.902 -179.468 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.471 ' HD3' ' HG2' ' A' ' 70' ' ' ARG . 7.0 tpp85 -69.12 63.18 0.13 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.105 -0.952 . . . . 0.0 112.175 -178.861 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 12.2 t 48.05 -86.38 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 178.463 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 114.44 -5.85 23.02 Favored Glycine 0 CA--C 1.522 0.497 0 C-N-CA 120.37 -0.919 . . . . 0.0 113.017 -179.262 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 56.6 ttt180 -104.7 143.17 33.46 Favored 'General case' 0 C--N 1.334 -0.105 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 179.214 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.02 162.76 5.33 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.005 0.431 . . . . 0.0 111.735 -178.734 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -78.71 165.12 23.98 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.821 -179.59 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -118.82 -135.59 5.21 Favored Glycine 0 C--N 1.334 0.462 0 C-N-CA 120.809 -0.71 . . . . 0.0 113.783 -179.139 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -111.21 -16.12 13.5 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 112.235 0.458 . . . . 0.0 112.235 -178.39 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.09 -161.86 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.839 0.352 . . . . 0.0 111.315 -179.701 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 32.4 p -162.97 150.79 13.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 179.731 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -76.85 140.63 40.68 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.247 -0.433 . . . . 0.0 109.848 178.906 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 90.8 p -145.02 -170.18 3.36 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.085 0.469 . . . . 0.0 111.328 -179.302 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.05 -40.42 38.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.052 178.46 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -53.27 -47.43 69.14 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 121.049 0.452 . . . . 0.0 110.323 179.561 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.989 HG23 HG21 ' A' ' 119' ' ' ILE . 49.7 mt -64.13 -36.26 76.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.289 179.426 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -62.12 -47.52 84.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.069 0.461 . . . . 0.0 109.915 179.216 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.9 tmtm? -61.67 -49.62 75.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.867 179.243 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 16.7 m -52.18 -43.6 64.24 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.211 179.117 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.427 HG23 ' CG2' ' A' ' 98' ' ' VAL . 97.2 mt -61.76 -52.1 64.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.141 -0.482 . . . . 0.0 109.962 178.8 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 40.1 m -49.63 -47.1 49.99 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.119 -179.845 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 41.9 tp60 -62.29 -47.7 83.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.993 0.425 . . . . 0.0 109.981 179.57 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 44.7 mttp -60.5 -42.27 96.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.067 178.755 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 2.2 mmtm 70.83 80.58 0.16 Allowed 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.451 -178.592 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.427 ' CG2' HG23 ' A' ' 93' ' ' ILE . 19.0 m -134.39 162.2 39.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.385 -178.965 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 9.9 mttm -81.28 57.78 3.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.303 -179.755 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 63.4 mt -134.87 105.49 6.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.541 179.511 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -127.77 158.27 38.13 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.243 179.849 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.466 HD23 ' NZ ' ' A' ' 104' ' ' LYS . 0.6 OUTLIER -84.43 131.8 34.63 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.292 0.568 . . . . 0.0 112.093 -179.497 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -77.98 143.66 37.39 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 177.839 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.466 ' NZ ' HD23 ' A' ' 102' ' ' LEU . 0.8 OUTLIER -95.46 -12.83 25.22 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.826 -0.35 . . . . 0.0 111.475 -179.721 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.2 p -87.63 2.89 49.72 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 120.539 0.209 . . . . 0.0 111.321 179.61 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -68.17 -138.54 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 116.701 -0.227 . . . . 0.0 111.021 -179.666 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -161.27 -67.39 0.06 Allowed 'General case' 0 N--CA 1.455 -0.218 0 CA-C-O 121.114 0.483 . . . . 0.0 110.763 179.991 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 17.0 p80 -86.54 176.75 7.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.551 -179.371 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 72.4 mt -124.93 66.34 1.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.002 179.149 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -136.32 128.75 30.3 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.265 -179.71 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 18.3 pt -105.62 -176.75 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.892 179.905 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 20.8 p -98.22 158.33 15.63 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.43 179.604 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.16 -32.82 66.79 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.005 0.431 . . . . 0.0 110.572 179.7 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -57.48 -62.18 1.96 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.642 -179.502 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 19.3 m170 -65.24 -36.6 84.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.579 -179.219 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 9.2 ttpp -58.37 -54.63 44.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.982 0.42 . . . . 0.0 110.782 -179.904 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 117' ' ' ASN . . . . . 0.424 ' O ' ' HB2' ' A' ' 121' ' ' SER . 14.4 t-20 -67.12 -34.76 78.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.552 -179.665 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.685 HD23 ' O ' ' A' ' 118' ' ' LEU . 4.2 tt -64.2 -42.28 96.71 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.846 -179.246 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.989 HG21 HG23 ' A' ' 89' ' ' ILE . 77.2 mt -84.47 -36.89 12.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 -177.878 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -72.34 -33.65 67.45 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 -178.236 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.424 ' HB2' ' O ' ' A' ' 117' ' ' ASN . 0.5 OUTLIER . . . . . 0 N--CA 1.465 0.306 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 -176.895 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 . . . . . 0 N--CA 1.455 -0.223 0 CA-C-O 120.837 0.351 . . . . 0.0 110.512 . . . . . . . . . 0 0 . 1 . 045 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.62 169.63 8.68 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.07 0.462 . . . . 0.0 111.699 -179.975 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 15.8 t -70.44 130.04 40.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.947 -179.857 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 26.6 p -90.25 39.0 0.95 Allowed 'General case' 0 N--CA 1.462 0.137 0 N-CA-C 112.13 0.419 . . . . 0.0 112.13 -179.326 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 76.0 mt -126.28 162.43 25.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.784 0.326 . . . . 0.0 110.447 177.812 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.462 ' HG2' ' HD3' ' A' ' 75' ' ' ARG . 19.3 mtp-105 -134.68 105.46 6.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.828 179.869 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -93.56 118.55 31.5 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 179.064 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 54.73 29.35 11.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.363 -178.934 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 88.26 -7.99 79.91 Favored Glycine 0 C--N 1.332 0.356 0 CA-C-N 115.736 -0.666 . . . . 0.0 113.344 179.415 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -87.92 126.84 35.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 117.186 0.493 . . . . 0.0 110.515 179.424 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.551 ' O ' ' N ' ' A' ' 77' ' ' GLY . 0.0 OUTLIER -74.27 57.35 0.67 Allowed 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.506 -179.009 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t 47.23 -71.47 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 113.607 0.965 . . . . 0.0 113.607 179.774 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.551 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 99.89 -9.52 60.07 Favored Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 111.39 -0.684 . . . . 0.0 111.39 -178.494 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 57.3 ttt-85 -100.46 143.01 31.15 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 179.21 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.53 166.43 6.74 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.019 0.438 . . . . 0.0 111.891 -178.714 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.27 151.19 36.85 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.399 -179.489 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -104.75 -125.75 5.65 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.7 -0.762 . . . . 0.0 113.753 -179.038 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -117.9 -29.3 5.7 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 111.968 0.358 . . . . 0.0 111.968 -178.122 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.3 159.58 32.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.037 0.446 . . . . 0.0 111.826 -179.279 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -126.27 143.76 51.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.679 179.856 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -64.45 135.01 55.65 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 178.955 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -137.18 -167.27 2.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.142 0.496 . . . . 0.0 111.857 -178.87 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.428 ' O ' ' HB3' ' A' ' 90' ' ' GLN . 2.5 mmtm -77.38 -43.88 31.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.277 178.94 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.4 ttm180 -52.69 -55.77 20.24 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.443 -0.798 . . . . 0.0 110.33 179.392 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.616 HG23 HG21 ' A' ' 119' ' ' ILE . 83.5 mt -51.94 -35.91 19.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.66 179.785 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.428 ' HB3' ' O ' ' A' ' 87' ' ' LYS . 0.5 OUTLIER -65.33 -46.56 79.81 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 178.972 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.71 -39.38 80.62 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.678 179.235 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 54.9 m -63.85 -45.39 89.7 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.797 178.907 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 86.5 mt -62.65 -30.19 48.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.015 178.883 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 33.9 m -73.76 -33.19 64.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.038 -179.975 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -81.01 -26.98 36.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.889 0.376 . . . . 0.0 110.312 179.451 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 97' ' ' LYS . 10.1 mttm -78.59 -42.73 28.29 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.399 178.938 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 96' ' ' LYS . 3.6 mmmt 67.9 67.68 0.35 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.655 -178.266 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 28.6 m -122.67 174.84 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.97 -179.521 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 32.7 mttp -89.44 41.47 1.04 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.395 -179.632 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 75.6 mt -108.66 116.86 52.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.836 0.351 . . . . 0.0 110.18 179.212 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -141.16 157.76 44.84 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.637 -179.935 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.476 ' HG ' ' N ' ' A' ' 103' ' ' ASP . 0.6 OUTLIER -86.15 146.39 26.6 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.225 0.536 . . . . 0.0 111.845 -179.308 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.476 ' N ' ' HG ' ' A' ' 102' ' ' LEU . 66.7 t0 -95.09 138.8 32.32 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 177.676 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 20.3 mmtm -96.89 13.24 29.45 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -179.102 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.8 p -95.36 -24.63 16.63 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.779 0.323 . . . . 0.0 111.18 -179.749 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -65.74 174.48 2.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.168 0.508 . . . . 0.0 111.845 -179.333 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 45.3 mtm180 -121.03 -0.86 9.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.877 179.398 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 108' ' ' HIS . . . . . 0.424 ' HB2' ' CD2' ' A' ' 110' ' ' TYR . 7.8 p80 -136.28 159.44 41.73 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 121.046 0.45 . . . . 0.0 111.74 -178.762 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 14.7 mt -117.3 59.91 0.76 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.627 179.652 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.424 ' CD2' ' HB2' ' A' ' 108' ' ' HIS . 80.7 m-85 -124.45 122.96 39.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.946 179.465 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 29.6 pt -103.94 168.52 2.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.798 179.846 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 25.8 p -79.69 148.99 31.35 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.55 179.688 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -52.59 -32.85 43.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.132 0.491 . . . . 0.0 110.184 179.833 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -52.9 -55.83 20.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.207 179.972 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 10.7 m170 -68.04 -36.03 79.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.635 -179.435 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.405 ' O ' ' HB2' ' A' ' 120' ' ' GLN . 4.2 ttpp -58.99 -50.92 72.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.978 0.418 . . . . 0.0 110.293 179.522 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -67.02 -34.37 77.59 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.21 -179.519 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.512 HD23 ' O ' ' A' ' 118' ' ' LEU . 4.6 tt -68.71 -42.84 77.13 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.961 -179.175 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.616 HG21 HG23 ' A' ' 89' ' ' ILE . 60.1 mt -83.88 -36.79 12.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 -177.839 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.405 ' HB2' ' O ' ' A' ' 116' ' ' LYS . 1.1 mt-30 -73.14 -38.12 66.37 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 -178.565 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 47.4 m . . . . . 0 C--N 1.326 -0.432 0 N-CA-C 114.859 1.429 . . . . 0.0 114.859 -175.908 . . . . . . . . 0 0 . 1 . 046 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 . . . . . 0 N--CA 1.455 -0.213 0 CA-C-O 120.713 0.292 . . . . 0.0 110.589 . . . . . . . . . 0 0 . 1 . 046 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 55.9 mt -97.28 148.29 23.27 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.468 179.535 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 41.6 t -48.93 151.82 1.17 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.748 179.686 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 11.0 p -110.55 32.88 4.87 Favored 'General case' 0 N--CA 1.462 0.153 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -179.252 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 96.9 mt -111.72 157.07 20.94 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 110.197 -0.297 . . . . 0.0 110.197 177.938 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.469 ' HG2' ' HD2' ' A' ' 75' ' ' ARG . 14.4 mtp180 -122.67 114.09 20.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.517 -179.647 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -101.7 106.03 17.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.038 178.96 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 57.21 43.7 23.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.716 -179.396 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 84.65 -11.41 59.28 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.956 -0.64 . . . . 0.0 113.302 179.518 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.4 ' O ' ' HA ' ' A' ' 70' ' ' ARG . 2.9 mm-40 -88.51 130.23 35.27 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.982 0.391 . . . . 0.0 111.279 -179.378 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.469 ' HD2' ' HG2' ' A' ' 70' ' ' ARG . 35.2 mmm-85 -81.56 62.09 5.27 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.875 -178.954 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 16.3 t 40.29 -86.7 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 179.073 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 108.03 -10.95 37.45 Favored Glycine 0 C--N 1.334 0.448 0 C-N-CA 120.516 -0.849 . . . . 0.0 112.848 -179.602 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 42.2 ttt180 -91.74 153.86 19.34 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.783 0.325 . . . . 0.0 110.436 179.86 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.22 139.82 54.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.848 -179.311 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.79 149.84 29.92 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.046 179.006 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -107.39 -130.45 6.38 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.361 -0.923 . . . . 0.0 114.059 -178.615 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -115.76 -3.55 12.23 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 -178.169 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.455 ' HB2' ' HD2' ' A' ' 116' ' ' LYS . . . -86.74 -174.8 5.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.943 0.402 . . . . 0.0 111.646 -179.151 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.5 m -140.19 178.83 7.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.07 179.612 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -112.04 89.9 3.19 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.751 -0.462 . . . . 0.0 109.751 178.971 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 79.9 p -87.51 -171.41 3.44 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.503 -178.866 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.4 mmtm -78.08 -38.26 44.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.968 179.05 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -53.85 -46.32 71.19 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.68 HG23 HG21 ' A' ' 119' ' ' ILE . 63.1 mt -62.4 -37.64 79.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.34 179.42 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.91 -52.06 65.6 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.384 0.612 . . . . 0.0 109.437 178.591 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.75 -38.32 75.15 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.043 -0.98 . . . . 0.0 109.746 179.199 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.7 t -60.6 -51.52 69.06 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.298 179.053 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 98.6 mt -56.37 -47.82 80.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.368 179.225 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 49.2 m -55.79 -42.96 76.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.158 -179.784 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -69.69 -31.47 69.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.886 0.374 . . . . 0.0 110.217 179.876 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -72.79 -39.42 66.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.237 0.541 . . . . 0.0 109.582 178.321 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 20.8 mttp 67.34 67.19 0.39 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.446 -178.692 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 23.7 m -126.15 -175.96 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.372 -179.057 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 8.0 mmtm -100.28 68.51 1.42 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.251 -179.822 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 61.3 mt -141.89 100.18 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.85 0.357 . . . . 0.0 110.807 179.518 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -126.82 152.44 46.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.263 179.497 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 12.1 tp -71.46 138.44 49.01 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.334 0.588 . . . . 0.0 111.802 -179.488 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -71.17 107.67 4.31 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.268 177.972 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 9.1 mmtp -64.37 -15.66 60.86 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 111.665 0.246 . . . . 0.0 111.665 -179.414 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 10.7 p -100.24 22.36 11.6 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.608 0.242 . . . . 0.0 111.106 -179.922 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -78.32 -178.5 5.75 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-O 121.256 0.551 . . . . 0.0 111.675 -179.774 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.23 -35.01 5.14 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.108 -179.817 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 28.6 p80 -145.18 -162.58 1.53 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.054 -178.695 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 57.3 mt -120.26 -126.58 0.27 Allowed 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 178.629 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.44 ' HA ' ' O ' ' A' ' 83' ' ' ALA . 91.5 m-85 57.04 84.62 0.09 Allowed 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 118.344 0.52 . . . . 0.0 111.525 179.356 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 31.6 pt -78.45 173.38 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.4 179.42 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 22.0 p -84.12 157.25 21.78 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.621 179.831 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.77 -32.22 69.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.129 0.49 . . . . 0.0 110.155 179.591 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -52.66 -58.18 7.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.343 179.991 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 11.9 m80 -68.46 -34.28 75.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.602 -179.567 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.455 ' HD2' ' HB2' ' A' ' 83' ' ' ALA . 1.1 ttpm? -58.55 -48.66 80.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.114 0.483 . . . . 0.0 110.598 179.832 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -71.63 -41.08 69.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.13 -179.628 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.636 HD23 ' O ' ' A' ' 118' ' ' LEU . 3.4 tt -62.65 -33.5 75.17 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.828 -179.058 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.68 HG21 HG23 ' A' ' 89' ' ' ILE . 63.7 mt -94.63 -35.75 6.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 -177.741 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -68.71 -46.53 68.7 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 -178.269 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 2.2 m . . . . . 0 C--N 1.327 -0.388 0 N-CA-C 114.898 1.444 . . . . 0.0 114.898 -175.088 . . . . . . . . 0 0 . 1 . 047 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 . . . . . 0 N--CA 1.455 -0.214 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 . . . . . . . . . 0 0 . 1 . 047 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 79' ' ' ALA . 0.8 OUTLIER -124.36 155.31 38.99 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-O 121.211 0.529 . . . . 0.0 111.944 179.486 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 46.7 t -49.4 158.43 0.41 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.356 -179.586 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 18.9 m -127.95 32.63 4.9 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 121.019 0.437 . . . . 0.0 111.379 -179.971 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 68.9 mt -117.63 158.11 25.22 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 178.851 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 50.0 mtt-85 -123.16 122.5 38.58 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.328 -179.445 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 74' ' ' GLU . 10.1 tt0 -92.47 120.44 32.96 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.017 178.986 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 50.51 40.2 22.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.038 0.447 . . . . 0.0 110.611 -179.453 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 78.7 -1.01 74.87 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.955 179.895 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' A' ' 71' ' ' GLU . 1.3 mm-40 -109.19 142.73 39.58 Favored 'General case' 0 C--N 1.334 -0.08 0 CA-C-O 121.11 0.481 . . . . 0.0 111.637 -179.77 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.6 mmm-85 -62.15 152.86 31.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.53 -0.759 . . . . 0.0 112.503 -179.036 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.7 t -69.29 -150.87 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.961 179.199 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -177.73 43.64 0.09 OUTLIER Glycine 0 C--N 1.335 0.518 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.593 179.889 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 17.9 ttt85 -152.02 150.45 29.98 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 178.962 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.406 ' HA ' HD12 ' A' ' 66' ' ' LEU . . . -65.58 161.38 20.44 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.002 0.43 . . . . 0.0 111.728 -178.623 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -83.24 157.68 22.58 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.781 -179.523 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -122.75 -162.6 11.58 Favored Glycine 0 C--N 1.335 0.519 0 C-N-CA 120.756 -0.735 . . . . 0.0 113.423 -179.388 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -73.5 -15.2 61.32 Favored 'General case' 0 N--CA 1.462 0.173 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -178.916 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -74.57 145.56 43.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.944 0.402 . . . . 0.0 111.417 -179.763 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 50.3 m -123.64 140.92 52.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.69 179.73 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -61.46 114.34 3.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.11 -0.496 . . . . 0.0 109.992 179.271 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 79.8 p -119.53 -162.22 0.91 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.994 -179.206 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.3 mmtp -81.11 -44.74 17.5 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.699 178.751 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? -52.5 -39.48 61.32 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.322 -179.327 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 78.5 mt -68.26 -35.58 71.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.825 0.345 . . . . 0.0 110.254 179.435 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.96 -44.9 83.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.552 0.691 . . . . 0.0 109.192 178.409 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 19.2 mmtt -59.93 -50.75 72.55 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 114.821 -1.081 . . . . 0.0 110.392 179.101 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 51.7 p -56.8 -41.76 78.31 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.46 179.357 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.4 ' HA ' ' HD3' ' A' ' 96' ' ' LYS . 85.0 mt -62.88 -40.21 87.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 178.722 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.421 ' O ' ' HG2' ' A' ' 97' ' ' LYS . 12.8 t -65.45 -34.36 78.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.375 -179.907 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -73.9 -35.73 64.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.005 0.431 . . . . 0.0 110.189 179.868 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.4 ' HD3' ' HA ' ' A' ' 93' ' ' ILE . 3.3 mtpm? -75.51 -37.81 59.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.82 178.66 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.421 ' HG2' ' O ' ' A' ' 94' ' ' SER . 6.6 mtmm 66.23 74.75 0.35 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.764 -178.671 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 17.0 m -127.06 -178.9 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.147 -179.321 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 12.2 mttm -102.07 71.61 1.27 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.454 -179.719 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 54.9 mt -137.81 109.9 6.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.194 179.093 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.62 174.37 7.48 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.719 -179.835 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.2 tp -92.01 131.38 37.34 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.811 -179.29 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.4 ' OD1' ' N ' ' A' ' 105' ' ' SER . 15.6 t0 -67.05 125.51 26.22 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 178.356 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 33.7 mtmm -76.43 -30.66 57.49 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -178.724 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 105' ' ' SER . . . . . 0.4 ' N ' ' OD1' ' A' ' 103' ' ' ASP . 0.4 OUTLIER -68.09 -21.16 64.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.632 0.253 . . . . 0.0 110.975 -179.957 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -48.12 172.01 0.01 OUTLIER 'General case' 0 CA--C 1.521 -0.172 0 CA-C-O 121.292 0.568 . . . . 0.0 111.787 -179.31 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.14 -36.33 2.53 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.862 -179.267 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 10.7 p80 -112.77 -170.41 1.66 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.355 -179.21 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 46.5 mt -136.2 80.75 1.84 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.607 178.642 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -149.02 104.95 3.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.9 -178.736 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 21.1 pt -79.91 -175.98 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.991 -179.997 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 19.6 p -101.97 169.4 8.79 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.473 179.464 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -69.1 -30.47 68.78 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.115 0.483 . . . . 0.0 110.152 179.678 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.408 ' O ' ' HB2' ' A' ' 118' ' ' LEU . 90.2 t80 -55.87 -61.16 2.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.204 179.973 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 28.8 m-70 -68.28 -37.4 80.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.708 -179.4 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 7.9 ttpp -54.63 -52.67 61.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.959 0.409 . . . . 0.0 110.47 179.846 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 20.0 t30 -70.8 -35.62 72.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.317 -179.551 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.602 HD23 ' O ' ' A' ' 118' ' ' LEU . 4.5 tt -63.72 -37.34 86.98 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.636 -179.366 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 54.9 mt -91.15 -48.42 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 -178.28 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -59.21 -33.56 71.12 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 -178.344 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 83.3 p . . . . . 0 N--CA 1.465 0.319 0 N-CA-C 114.503 1.297 . . . . 0.0 114.503 -176.241 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 33.4 t . . . . . 0 N--CA 1.481 1.08 0 CA-C-O 119.993 -0.051 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -114.24 26.15 10.51 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 121.149 0.499 . . . . 0.0 111.523 179.426 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -157.21 14.59 0.26 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.259 177.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -110.03 18.85 28.29 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.351 -179.443 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 -98.73 -177.8 3.77 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.4 ' HA ' ' HA ' ' A' ' 79' ' ' ALA . 0.1 OUTLIER -116.76 164.24 14.94 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.087 0.47 . . . . 0.0 111.84 -179.881 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 38.2 t -60.32 148.95 35.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.198 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 22.4 p -111.64 38.46 2.61 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.391 -179.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.423 HD12 ' ND1' ' A' ' 115' ' ' HIS . 32.7 mt -131.69 145.84 51.86 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.886 -0.412 . . . . 0.0 109.886 178.705 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.41 ' HA ' ' O ' ' A' ' 74' ' ' GLU . 53.7 mtp180 -116.06 112.22 21.45 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.437 -179.462 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -89.93 90.68 8.27 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 178.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.2 t0 68.27 40.1 2.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.514 -179.286 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 89.01 -3.95 84.69 Favored Glycine 0 CA--C 1.52 0.369 0 C-N-CA 120.852 -0.69 . . . . 0.0 113.159 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.41 ' O ' ' HA ' ' A' ' 70' ' ' ARG . 5.2 mm-40 -93.41 122.5 35.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 117.071 0.436 . . . . 0.0 111.343 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.517 ' O ' ' N ' ' A' ' 77' ' ' GLY . 3.6 tpp180 -77.33 57.92 1.57 Allowed 'General case' 0 C--O 1.225 -0.21 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.242 -179.318 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.3 t 41.87 -76.39 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 109.45 -34.08 5.71 Favored Glycine 0 N--CA 1.45 -0.367 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 -178.515 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 39.1 ttt180 -75.44 138.71 41.82 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 178.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.4 ' HA ' ' HA ' ' A' ' 66' ' ' LEU . . . -61.08 167.33 3.05 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.046 0.45 . . . . 0.0 111.9 -178.559 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -78.57 148.86 33.16 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.527 -179.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -107.03 -149.03 15.46 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.748 -0.739 . . . . 0.0 113.457 -179.289 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -95.73 -3.54 45.74 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -178.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.431 ' HB2' ' HD3' ' A' ' 116' ' ' LYS . . . -83.28 167.68 17.4 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.899 0.38 . . . . 0.0 111.446 -179.683 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.27 149.14 51.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.594 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -79.86 112.17 16.89 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 178.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 89.5 p -115.21 -168.21 1.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.19 0.519 . . . . 0.0 111.611 -178.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.9 -44.32 22.95 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.617 179.616 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.24 -42.83 70.33 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.476 179.326 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.681 HG23 HG21 ' A' ' 119' ' ' ILE . 39.9 mt -65.17 -41.23 91.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.133 179.318 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.55 -51.82 68.2 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-O 121.483 0.658 . . . . 0.0 109.447 178.606 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.91 -44.5 86.87 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 114.857 -1.065 . . . . 0.0 110.073 179.191 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 31.7 t -56.19 -45.97 79.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.015 178.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.02 -49.51 84.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.318 179.156 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.74 -45.13 58.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.181 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.89 -47.44 84.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.837 0.351 . . . . 0.0 110.114 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.699 ' HE2' HG21 ' A' ' 122' ' ' VAL . 1.3 mtpm? -61.33 -34.77 75.8 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 178.755 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.5 mmtp 60.84 74.61 0.44 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.496 -0.774 . . . . 0.0 109.657 -178.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 16.3 m -129.68 174.21 12.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.242 -179.221 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 45.1 mttm -88.48 63.16 6.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.531 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 32.5 mt -133.41 109.66 13.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.172 179.067 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -131.98 154.48 49.28 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.829 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 16.9 tp -69.57 142.99 53.47 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.342 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -91.32 125.61 36.14 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 177.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 7.7 mtmt -85.74 -12.68 50.46 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -178.135 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.2 p -76.35 -3.69 38.19 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.212 179.521 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -85.07 175.37 9.06 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 121.157 0.503 . . . . 0.0 112.04 -179.283 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -126.11 -15.28 5.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.676 179.431 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 29.9 p80 -118.61 166.37 12.82 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.211 0.529 . . . . 0.0 111.667 -178.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 62.2 mt -122.95 77.65 1.47 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.739 178.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -143.85 120.4 11.06 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.176 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 35.6 pt -100.15 170.95 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 16.4 p -84.59 164.12 18.89 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.473 179.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -64.1 -34.0 77.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.138 0.494 . . . . 0.0 110.335 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -54.51 -61.19 2.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.318 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' HIS . . . . . 0.423 ' ND1' HD12 ' A' ' 69' ' ' LEU . 23.6 m170 -64.1 -34.23 77.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.778 -179.325 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.431 ' HD3' ' HB2' ' A' ' 83' ' ' ALA . 14.8 ttpp -58.98 -53.94 52.78 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.058 0.456 . . . . 0.0 110.553 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -63.45 -46.32 86.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.92 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.401 ' O ' HD23 ' A' ' 118' ' ' LEU . 4.3 tt -56.44 -45.29 80.86 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.011 -178.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.681 HG21 HG23 ' A' ' 89' ' ' ILE . 81.2 mt -77.24 -38.57 27.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -178.039 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -70.07 -38.39 75.72 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 -178.304 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.09 30.34 0.6 Allowed 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 114.802 1.408 . . . . 0.0 114.802 -175.355 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.699 HG21 ' HE2' ' A' ' 96' ' ' LYS . 78.0 t -106.7 -22.73 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 C-N-CA 120.498 -0.481 . . . . 0.0 109.97 177.809 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.436 ' NH1' ' HB2' ' A' ' 123' ' ' ARG . 6.6 mtm105 -114.58 25.95 10.6 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.622 178.46 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -171.21 92.79 0.16 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.782 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -159.58 -38.61 0.06 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.746 -178.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 3.3 ttt85 -141.14 175.13 9.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.06 179.262 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -149.66 19.97 0.92 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.855 0.36 . . . . 0.0 111.035 179.235 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -159.27 130.68 6.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 109.899 179.354 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.03 -35.88 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.069 -179.326 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -162.88 -28.69 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 CA-C-N 115.804 -0.635 . . . . 0.0 112.369 179.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 9.3 t . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.519 179.148 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.8 p . . . . . 0 N--CA 1.484 1.24 0 CA-C-O 121.243 0.544 . . . . 0.0 111.412 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -107.06 86.1 2.25 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.233 179.073 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -154.25 16.18 0.47 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.414 178.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -120.58 53.35 0.69 Allowed Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.888 -0.672 . . . . 0.0 111.663 -179.667 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -95.47 -178.08 4.3 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.041 0.448 . . . . 0.0 111.214 -179.46 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 14.0 mt -124.3 146.65 48.66 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.351 179.72 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.429 ' O ' ' NH2' ' A' ' 75' ' ' ARG . 51.5 t -46.92 158.42 0.13 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.935 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 28.4 p -122.71 31.95 5.9 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -179.435 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 75.3 mt -122.43 163.26 20.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.78 0.324 . . . . 0.0 110.196 178.347 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 28.7 mtp180 -117.17 148.28 41.72 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.706 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -118.42 100.95 7.8 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.951 179.331 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 59.15 42.38 18.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.457 -179.133 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 84.36 -9.12 65.23 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.938 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -106.01 122.15 45.57 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-O 121.171 0.51 . . . . 0.0 111.246 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.429 ' NH2' ' O ' ' A' ' 67' ' ' CYS . 15.0 tpt180 -53.86 141.61 26.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.515 -0.766 . . . . 0.0 112.495 -179.072 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 34.7 t -58.0 -72.65 0.09 Allowed 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.728 178.505 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 95.45 -22.53 38.35 Favored Glycine 0 C--N 1.331 0.296 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.936 179.582 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 50.1 ttt85 -66.53 140.27 57.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.802 0.334 . . . . 0.0 110.618 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -50.08 150.77 2.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.589 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.78 152.34 44.71 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.211 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -100.85 -131.58 7.45 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.536 -0.84 . . . . 0.0 113.761 -178.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -119.21 7.2 11.26 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -178.577 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -115.34 173.87 6.29 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.038 0.447 . . . . 0.0 111.504 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.7 m -133.13 160.37 37.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.572 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -75.08 142.75 43.67 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.659 -0.496 . . . . 0.0 109.659 178.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 60.6 p -149.27 -164.47 2.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.024 0.44 . . . . 0.0 111.457 -179.158 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.14 -44.44 25.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.322 179.184 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.81 -41.79 64.5 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.503 -0.772 . . . . 0.0 110.723 179.665 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.873 HG23 HG21 ' A' ' 119' ' ' ILE . 20.6 mt -69.0 -41.88 81.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.978 179.236 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -57.58 -44.66 85.49 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-O 121.649 0.737 . . . . 0.0 109.155 178.241 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.8 mmtp -65.49 -42.49 92.08 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 114.479 -1.237 . . . . 0.0 110.131 179.182 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.571 ' HA ' ' HD3' ' A' ' 123' ' ' ARG . 59.1 m -60.99 -44.64 97.1 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.382 179.558 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.544 HG23 HG22 ' A' ' 98' ' ' VAL . 95.3 mt -63.88 -41.83 93.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.063 0.458 . . . . 0.0 109.827 178.831 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 20.6 t -55.34 -43.78 75.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.274 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -67.51 -25.31 65.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.86 0.362 . . . . 0.0 110.364 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.571 ' NZ ' HG23 ' A' ' 119' ' ' ILE . 27.0 mttp -84.89 -38.44 19.41 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.069 178.727 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 33.4 mmtm 63.78 61.58 0.97 Allowed 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.55 -178.476 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.544 HG22 HG23 ' A' ' 93' ' ' ILE . 34.7 m -112.84 168.63 5.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.17 -179.453 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 53.4 mttm -88.35 43.57 1.14 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.591 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 29.6 mt -116.93 100.01 9.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.959 0.409 . . . . 0.0 109.929 178.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -118.66 167.93 11.19 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.722 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.1 tt -87.1 117.54 25.9 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.912 -179.263 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -63.23 140.88 58.92 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 177.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 22.7 mttm -99.72 13.41 33.74 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.963 -179.017 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 8.4 t -91.64 -16.71 26.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.679 0.276 . . . . 0.0 110.943 179.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -78.71 160.64 27.37 Favored 'General case' 0 N--CA 1.457 -0.121 0 CA-C-O 121.101 0.476 . . . . 0.0 112.028 -179.486 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 36.3 mtp180 -109.67 -3.15 17.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.503 -0.772 . . . . 0.0 111.103 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' HIS . . . . . 0.412 ' HB2' ' CE1' ' A' ' 110' ' ' TYR . 12.9 p80 -131.35 166.59 20.91 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.068 0.461 . . . . 0.0 111.574 -178.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 70.2 mt -120.11 85.33 2.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.052 178.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.412 ' CE1' ' HB2' ' A' ' 108' ' ' HIS . 85.1 m-85 -142.87 130.59 21.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.312 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 34.1 pt -111.42 167.78 5.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.949 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 25.5 p -90.45 164.38 14.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.598 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -62.29 -29.27 70.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.082 0.467 . . . . 0.0 110.295 179.427 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -56.88 -61.91 2.11 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.353 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 30.8 m170 -71.62 -30.62 65.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.644 -179.191 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 10.4 ttpp -59.13 -53.32 59.68 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.11 0.481 . . . . 0.0 110.397 179.571 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -67.63 -40.23 84.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.025 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.41 HD23 ' O ' ' A' ' 118' ' ' LEU . 6.2 tt -62.05 -37.73 86.08 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.03 -179.05 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.873 HG21 HG23 ' A' ' 89' ' ' ILE . 84.5 mt -85.69 -41.34 15.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 -178.009 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -63.65 -46.15 86.95 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 -177.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 56.1 p -90.08 47.5 1.46 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 114.502 1.297 . . . . 0.0 114.502 -175.01 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 93.7 t -121.65 -40.83 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 177.675 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.571 ' HD3' ' HA ' ' A' ' 92' ' ' SER . 6.9 mtp85 -93.87 -0.3 55.8 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.168 177.083 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -128.44 109.86 11.79 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -163.16 101.79 0.97 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.002 0.429 . . . . 0.0 111.724 -179.382 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -142.61 169.11 18.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.861 178.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.91 93.33 2.32 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.791 0.329 . . . . 0.0 111.216 179.601 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 47.83 -167.67 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.729 179.159 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 21.2 tttm -151.65 -81.27 0.1 Allowed 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.202 179.329 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 158.65 127.66 0.94 Allowed Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.599 -0.81 . . . . 0.0 112.356 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 93.5 p . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.197 -0.906 . . . . 0.0 110.678 179.874 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 9.1 p . . . . . 0 N--CA 1.485 1.29 0 CA-C-O 121.14 0.495 . . . . 0.0 111.833 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -133.79 111.81 10.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.611 178.213 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -141.34 29.57 1.79 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.59 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -145.39 59.96 0.5 Allowed Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 121.047 -0.597 . . . . 0.0 111.927 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.418 ' O ' ' HA ' ' A' ' 79' ' ' ALA . 1.3 mt-30 -107.95 176.96 4.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.845 0.355 . . . . 0.0 111.112 -179.389 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 26.9 mt -106.91 150.76 26.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.778 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 42.8 t -55.06 160.61 1.99 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.817 179.684 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 17.3 p -120.41 26.14 9.37 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.684 0.278 . . . . 0.0 111.722 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 64.7 mt -111.59 164.78 12.62 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 178.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 21.6 mtp85 -134.51 129.84 35.73 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.837 0.351 . . . . 0.0 110.875 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.405 ' O ' ' HB2' ' A' ' 74' ' ' GLU . 4.7 tt0 -105.41 107.51 18.53 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.945 179.228 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 59.16 50.81 7.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.676 -179.314 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 66.14 9.6 48.77 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.837 -0.697 . . . . 0.0 113.033 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' A' ' 71' ' ' GLU . 33.0 mm-40 -112.79 125.03 53.89 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 121.011 0.434 . . . . 0.0 110.769 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.35 133.15 55.52 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.76 -0.654 . . . . 0.0 112.065 -178.798 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 42.4 t -56.84 -53.5 57.19 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.763 179.033 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 73.56 -11.77 5.24 Favored Glycine 0 CA--C 1.521 0.41 0 CA-C-N 115.944 -0.571 . . . . 0.0 113.618 179.317 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.4 ' CZ ' ' HB2' ' A' ' 114' ' ' TYR . 38.2 ttt85 -73.05 143.23 47.56 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 117.114 0.457 . . . . 0.0 109.955 -179.388 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.418 ' HA ' ' O ' ' A' ' 65' ' ' GLN . . . -53.1 148.24 8.43 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.588 -179.43 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.63 157.13 35.9 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.867 178.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -114.35 -135.26 5.97 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.157 -1.021 . . . . 0.0 113.947 -178.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -111.81 15.34 20.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.463 -0.369 . . . . 0.0 111.785 -178.564 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -106.75 176.42 5.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.024 0.44 . . . . 0.0 111.597 -179.601 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 48.2 m -145.97 141.21 27.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.839 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -66.48 113.54 4.79 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.728 179.162 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 97.8 p -118.93 -172.23 2.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.991 0.424 . . . . 0.0 111.612 -179.04 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.67 -41.59 45.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.502 179.032 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -57.06 -50.7 71.95 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.106 179.187 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.924 HG23 HG21 ' A' ' 119' ' ' ILE . 63.2 mt -58.76 -40.92 81.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.832 179.078 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 18.7 tm0? -56.36 -46.56 79.94 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 121.548 0.689 . . . . 0.0 109.25 178.429 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp -63.8 -45.58 89.0 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 114.73 -1.123 . . . . 0.0 110.113 179.155 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 41.6 m -56.91 -36.96 70.78 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.277 179.245 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 93.9 mt -70.9 -48.1 58.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.215 179.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 32.6 t -52.17 -39.39 60.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.059 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -68.61 -41.74 79.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.09 0.472 . . . . 0.0 109.881 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.825 ' HE3' HG21 ' A' ' 122' ' ' VAL . 61.0 mttp -60.06 -40.0 87.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.583 179.192 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.421 ' HB2' ' O ' ' A' ' 96' ' ' LYS . 1.8 mmtm 68.0 58.91 0.46 Allowed 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.326 -178.053 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.412 HG13 ' HB3' ' A' ' 96' ' ' LYS . 31.1 m -115.59 170.61 5.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.602 -179.082 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.0 mmtm -91.64 40.9 1.05 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.711 -179.533 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 31.0 mt -113.71 118.61 58.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.921 0.391 . . . . 0.0 110.16 178.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -134.91 173.04 12.16 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.414 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.437 ' HG ' ' N ' ' A' ' 103' ' ' ASP . 1.2 tp -88.7 136.02 33.21 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.38 0.61 . . . . 0.0 112.118 -179.523 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.437 ' N ' ' HG ' ' A' ' 102' ' ' LEU . 23.9 t0 -80.16 135.73 36.36 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 177.336 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 16.4 mttm -93.07 -22.47 19.1 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.35 -179.005 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 34.4 t -73.95 -4.37 34.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.581 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.92 -165.91 0.02 OUTLIER 'General case' 0 CA--C 1.522 -0.104 0 CA-C-O 121.241 0.543 . . . . 0.0 111.69 -179.464 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.8 ttp180 -128.82 -35.31 1.89 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.379 -179.549 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 14.6 p80 -132.34 174.71 9.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.114 0.483 . . . . 0.0 111.724 -178.675 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 32.3 mt -110.86 73.32 0.82 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.476 179.383 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -133.4 120.89 21.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.237 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 34.1 pt -100.14 160.02 3.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.986 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 7.6 p -76.0 160.19 30.09 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.501 179.512 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -62.63 -33.72 75.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.085 0.469 . . . . 0.0 110.435 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.4 ' HB2' ' CZ ' ' A' ' 78' ' ' ARG . 64.3 t80 -53.51 -61.57 2.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.213 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 19.5 m170 -64.29 -31.08 72.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.577 -179.221 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 11.9 ttpp -62.52 -52.96 61.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.947 0.403 . . . . 0.0 110.479 179.655 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -64.99 -30.19 71.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.0 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.452 HD23 ' O ' ' A' ' 118' ' ' LEU . 5.2 tt -74.72 -42.67 57.89 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.747 -179.721 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.924 HG21 HG23 ' A' ' 89' ' ' ILE . 82.4 mt -79.11 -37.21 19.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 113.275 0.842 . . . . 0.0 113.275 -177.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -71.37 -28.4 64.01 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 -178.314 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 59.4 p -85.96 21.04 2.05 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 114.478 1.288 . . . . 0.0 114.478 -176.263 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.825 HG21 ' HE3' ' A' ' 96' ' ' LYS . 65.5 t -118.05 -33.03 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.673 178.39 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 8.2 mtp180 -116.68 39.37 3.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.205 0.526 . . . . 0.0 109.662 178.728 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -149.99 87.11 1.46 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.124 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 3.8 ttt-85 -141.98 127.31 18.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.166 0.508 . . . . 0.0 111.735 -179.161 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -130.41 162.33 29.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.12 179.42 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.62 94.85 4.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.896 0.379 . . . . 0.0 111.105 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 14.2 mmt-85 63.47 175.4 0.16 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.323 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 49.0 tttm -169.44 -70.36 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.868 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -165.22 127.05 1.57 Allowed Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.329 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 5.4 p . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.308 -0.853 . . . . 0.0 110.811 179.866 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.485 1.275 0 CA-C-O 121.122 0.487 . . . . 0.0 111.637 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 60.8 70.83 0.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.559 -179.743 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -149.29 22.1 0.94 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.04 178.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -89.22 22.23 24.21 Favored Glycine 0 C--N 1.335 0.482 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.619 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -100.72 170.83 8.08 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -111.51 154.76 24.29 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.099 0.476 . . . . 0.0 111.655 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 44.8 t -48.33 143.44 4.72 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.122 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 23.6 p -104.97 33.13 3.77 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.922 0.391 . . . . 0.0 111.399 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 35.6 mt -129.79 149.56 51.47 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.678 178.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 64.2 mtp180 -115.06 114.13 24.96 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.77 0.319 . . . . 0.0 111.072 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 77.3 tt0 -91.47 106.09 18.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.106 179.168 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 57.98 43.46 21.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.923 -179.438 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 87.02 -22.84 12.52 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.766 -0.731 . . . . 0.0 113.302 179.431 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -83.6 130.24 34.98 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 117.259 0.53 . . . . 0.0 111.542 -179.615 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 77' ' ' GLY . 10.3 tpp180 -74.68 60.42 0.91 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.083 -179.398 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 7.0 t 44.61 -82.94 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 179.323 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 115.37 -31.97 5.95 Favored Glycine 0 C--N 1.332 0.319 0 C-N-CA 120.616 -0.802 . . . . 0.0 111.829 -178.668 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 62.2 ttt-85 -76.09 144.53 40.65 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 179.04 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.4 151.27 45.37 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.012 0.434 . . . . 0.0 111.734 -178.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.56 159.13 19.38 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.675 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -125.28 -136.5 4.55 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.178 -1.01 . . . . 0.0 114.068 -178.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -97.93 -15.8 19.99 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -178.154 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -79.99 169.82 17.33 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.854 0.359 . . . . 0.0 111.446 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.1 p -134.33 -166.62 1.83 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.191 179.33 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -121.31 131.97 54.51 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.837 179.613 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 47.4 p -136.54 -168.21 2.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.18 0.514 . . . . 0.0 111.611 -179.137 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.89 -44.4 40.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.245 179.453 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? -52.23 -47.0 65.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.208 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.608 HG23 HG21 ' A' ' 119' ' ' ILE . 29.7 mt -66.78 -33.55 64.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.348 179.464 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -63.08 -42.38 99.61 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-O 121.344 0.593 . . . . 0.0 109.64 178.776 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.16 -33.6 67.85 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.831 179.42 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 19.8 m -63.41 -34.99 78.95 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.687 178.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 71.6 mt -78.21 -45.37 26.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.921 178.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 38.9 t -52.14 -43.35 63.98 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.094 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 30.9 tp60 -69.84 -36.53 75.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.89 0.376 . . . . 0.0 110.154 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.555 ' HE3' HG21 ' A' ' 122' ' ' VAL . 41.3 mttp -66.57 -46.22 76.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.233 178.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.405 ' HB2' ' O ' ' A' ' 96' ' ' LYS . 6.5 mmtp 67.88 75.73 0.28 Allowed 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.703 -178.284 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 35.5 m -130.22 166.59 27.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.957 -179.248 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 20.6 mttp -80.59 68.95 6.99 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.96 0.409 . . . . 0.0 111.422 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 68.4 mt -137.31 109.14 6.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.379 179.258 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.05 151.72 41.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.853 0.359 . . . . 0.0 110.497 179.473 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.49 127.81 32.69 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.129 0.49 . . . . 0.0 112.258 -179.008 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -64.55 145.41 56.18 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 177.649 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 22.1 mmtm -98.43 -41.07 7.97 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.853 0.359 . . . . 0.0 111.073 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 76.5 p -54.65 -29.86 53.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.075 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -47.79 152.99 0.66 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.699 -179.386 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -120.66 24.92 10.04 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.267 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 12.8 p80 -165.98 156.88 13.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.283 -178.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 95.8 mt -116.81 73.1 0.85 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.46 179.361 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -132.24 109.4 9.89 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.954 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 49.2 pt -92.18 164.19 2.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.911 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 7.3 p -84.02 161.4 20.74 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.474 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.47 -35.55 76.16 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.994 0.426 . . . . 0.0 110.547 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 56.4 t80 -49.81 -62.37 1.6 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.773 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 18.7 m80 -64.49 -28.81 69.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.514 -179.212 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 7.9 ttpp -61.8 -54.35 43.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.946 0.403 . . . . 0.0 110.444 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -66.4 -42.09 88.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.794 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.551 HD23 ' O ' ' A' ' 118' ' ' LEU . 4.5 tt -60.94 -41.72 96.81 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.709 -179.089 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.608 HG21 HG23 ' A' ' 89' ' ' ILE . 78.8 mt -82.0 -52.72 13.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 -178.046 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -57.35 -26.17 60.57 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.252 0.834 . . . . 0.0 113.252 -178.518 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 4.9 m -110.78 62.3 0.61 Allowed 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 114.824 1.416 . . . . 0.0 114.824 -176.597 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.555 HG21 ' HE3' ' A' ' 96' ' ' LYS . 55.3 t -132.28 -46.6 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 177.279 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 13.4 mtp-105 -130.2 27.66 5.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.63 177.349 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -153.12 105.32 2.89 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.955 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 18.5 mtm-85 -84.71 -171.37 3.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.002 0.43 . . . . 0.0 111.51 -179.103 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 11.7 ttt180 -131.54 103.98 6.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.641 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 5.9 tttp 61.67 -143.34 0.44 Allowed 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 -139.63 -45.98 0.45 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.077 0.465 . . . . 0.0 109.771 177.591 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 2.2 ttpp 55.51 -85.62 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.201 178.525 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 142.86 -77.54 0.28 Allowed Glycine 0 C--N 1.333 0.401 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.282 -178.702 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.27 -0.871 . . . . 0.0 111.082 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.0 m . . . . . 0 N--CA 1.486 1.358 0 N-CA-C 111.559 0.207 . . . . 0.0 111.559 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -113.65 44.44 1.6 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.332 0.587 . . . . 0.0 111.08 179.577 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -148.68 36.33 0.79 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.776 179.006 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -157.41 54.04 0.39 Allowed Glycine 0 N--CA 1.45 -0.431 0 CA-C-N 115.571 -0.741 . . . . 0.0 112.069 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -62.62 180.0 0.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.917 0.389 . . . . 0.0 110.867 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.2 mp -120.25 149.06 42.89 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.618 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.429 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 53.9 t -54.31 151.63 7.23 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.217 -179.512 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 71.7 m -121.26 30.78 6.63 Favored 'General case' 0 CA--C 1.529 0.156 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -178.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 73.7 mt -114.18 155.38 26.19 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 178.107 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.441 ' O ' ' HA ' ' A' ' 100' ' ' ILE . 7.2 mtp180 -125.35 140.62 52.65 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.758 0.313 . . . . 0.0 110.848 -179.599 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.415 ' HG2' ' OD1' ' A' ' 72' ' ' ASP . 17.8 tt0 -116.53 110.05 18.06 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.025 179.476 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.415 ' OD1' ' HG2' ' A' ' 71' ' ' GLU . 4.4 m-20 64.11 35.54 10.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.005 0.431 . . . . 0.0 110.282 -179.128 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 83.42 -5.29 78.27 Favored Glycine 0 CA--C 1.52 0.404 0 C-N-CA 120.892 -0.671 . . . . 0.0 112.903 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -104.36 133.89 48.5 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-O 120.957 0.408 . . . . 0.0 111.225 -179.654 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.48 173.55 0.38 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.082 -179.426 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.429 ' HB3' ' HB3' ' A' ' 67' ' ' CYS . 37.8 t -92.61 -60.9 1.71 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.366 179.073 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 95.14 -35.55 4.21 Favored Glycine 0 C--N 1.331 0.266 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.905 179.495 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 20.9 ttt180 -58.39 146.15 35.81 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 179.455 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.1 145.98 54.76 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.909 0.385 . . . . 0.0 111.395 -179.158 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.25 159.15 4.75 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.227 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -117.23 -146.65 8.38 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.616 -0.802 . . . . 0.0 113.713 -179.132 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -103.99 0.29 29.76 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -178.58 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -96.6 169.69 9.72 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.949 0.404 . . . . 0.0 111.268 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 82.9 p -130.32 157.92 41.23 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.795 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -83.69 97.48 9.13 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.715 179.334 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 52.1 p -102.66 -173.13 2.25 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.682 -178.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.402 ' HG2' ' H ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -76.1 -38.35 57.05 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.968 178.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -52.42 -45.03 65.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.161 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.471 HG23 HG21 ' A' ' 119' ' ' ILE . 25.4 mt -68.08 -39.77 81.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.062 179.204 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -55.09 -50.85 68.13 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.515 178.581 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.0 tptp -58.99 -50.52 73.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.337 178.459 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.43 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 43.8 t -48.93 -44.53 40.58 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.242 179.593 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 82.0 mt -65.82 -46.04 89.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.312 179.185 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 69.6 m -55.04 -38.31 67.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.209 -179.679 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -69.1 -40.16 78.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.916 0.388 . . . . 0.0 110.053 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.53 ' HZ3' HG11 ' A' ' 122' ' ' VAL . 12.2 mtpp -73.54 -28.72 62.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.624 178.412 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 15.8 tptt 53.65 74.86 0.29 Allowed 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.631 -179.278 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 18.6 m -122.86 175.75 5.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.359 -179.223 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 55.7 mttm -92.32 55.44 2.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.255 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.441 ' HA ' ' O ' ' A' ' 70' ' ' ARG . 69.3 mt -119.7 118.21 56.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.433 179.161 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -130.77 176.58 8.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.053 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -101.32 125.91 48.01 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.911 -178.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 61.8 t0 -67.76 121.75 16.62 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 178.173 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.411 ' HB3' ' NZ ' ' A' ' 104' ' ' LYS . 0.3 OUTLIER -80.1 -18.77 49.05 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -178.675 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 75.7 m -68.56 -10.56 56.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.766 -0.197 . . . . 0.0 111.471 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -78.66 -176.16 4.74 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-O 121.015 0.436 . . . . 0.0 112.037 -179.181 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -130.7 -43.84 1.1 Allowed 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.928 179.754 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 34.1 p80 -91.81 175.85 6.74 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.651 -179.014 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 6.3 mt -133.23 79.73 1.85 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.942 179.33 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -145.64 103.9 3.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.274 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 32.0 pt -79.15 169.4 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.985 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 20.0 p -81.93 169.35 16.89 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.484 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.15 -37.46 81.06 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.095 0.474 . . . . 0.0 110.303 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 79.8 t80 -52.2 -61.19 2.43 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.398 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 8.9 m170 -60.33 -41.87 94.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.683 -179.383 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 6.6 ttpp -52.72 -53.68 44.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.018 0.437 . . . . 0.0 110.734 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -64.45 -36.29 83.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.085 -179.552 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.446 HD23 ' O ' ' A' ' 118' ' ' LEU . 5.3 tt -62.34 -48.24 80.7 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.871 -179.132 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.471 HG21 HG23 ' A' ' 89' ' ' ILE . 56.4 mt -80.47 -40.15 19.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -177.731 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -66.24 -38.83 88.81 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.666 0.987 . . . . 0.0 113.666 -177.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 28.9 p -74.61 7.27 3.11 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 -176.319 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.53 HG11 ' HZ3' ' A' ' 96' ' ' LYS . 58.6 t -115.34 143.97 23.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 O-C-N 121.986 -0.446 . . . . 0.0 110.686 178.832 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 47.23 25.9 0.61 Allowed 'General case' 0 N--CA 1.454 -0.254 0 CA-C-O 120.984 0.421 . . . . 0.0 111.365 -178.784 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -157.56 19.93 0.28 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.943 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.408 ' O ' ' N ' ' A' ' 127' ' ' LYS . 42.9 ttt85 -94.51 25.45 3.93 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.825 0.345 . . . . 0.0 111.163 -178.744 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 20.3 ttp180 60.98 -79.13 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.063 179.347 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 125' ' ' ARG . 22.3 mtpp 57.96 82.89 0.12 Allowed 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.39 -168.83 1.7 Allowed 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 177.667 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 10.6 mmtt -93.9 177.25 6.05 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.268 0.556 . . . . 0.0 111.664 -179.298 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -117.78 37.77 3.17 Favored Glycine 0 N--CA 1.449 -0.493 0 CA-C-N 115.476 -0.783 . . . . 0.0 111.447 178.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.187 -0.911 . . . . 0.0 110.758 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 67.9 m . . . . . 0 N--CA 1.48 1.043 0 N-CA-C 111.296 0.11 . . . . 0.0 111.296 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.9 m120 -93.76 26.67 3.02 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.119 0.485 . . . . 0.0 109.907 177.388 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -157.56 19.61 0.28 Allowed 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.243 178.252 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -139.93 64.62 0.53 Allowed Glycine 0 C--N 1.335 0.525 0 N-CA-C 111.665 -0.574 . . . . 0.0 111.665 -179.255 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -109.63 -165.43 1.01 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.786 0.327 . . . . 0.0 110.293 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.781 HD12 ' HA ' ' A' ' 79' ' ' ALA . 1.3 tp -118.35 159.87 22.65 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.046 0.45 . . . . 0.0 111.929 179.637 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 42.7 t -67.96 140.45 56.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.899 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 91.5 m -108.15 41.07 1.62 Allowed 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -178.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.53 HD11 HG21 ' A' ' 111' ' ' ILE . 80.2 mt -130.69 154.62 47.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.866 0.365 . . . . 0.0 110.607 177.776 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 45.6 mtp85 -119.53 118.28 30.62 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.867 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -90.24 126.46 35.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.823 0.344 . . . . 0.0 110.258 179.214 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 54.0 27.7 7.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.578 -179.321 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 89.22 -4.59 84.46 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.776 -0.726 . . . . 0.0 113.099 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -111.41 143.34 42.39 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.039 0.447 . . . . 0.0 111.575 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.6 tpp85 -53.07 161.51 0.81 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.601 -0.727 . . . . 0.0 112.1 -178.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 24.0 t -79.09 -67.99 0.7 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.461 179.501 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 102.16 -22.25 38.62 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.531 -0.842 . . . . 0.0 112.624 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 55.5 ttt85 -83.38 135.36 34.73 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.266 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.781 ' HA ' HD12 ' A' ' 66' ' ' LEU . . . -57.89 154.12 12.81 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.071 0.463 . . . . 0.0 111.536 -178.665 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.45 149.15 44.47 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.713 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -104.38 -114.03 3.9 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.771 -0.728 . . . . 0.0 113.498 -179.195 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -125.74 -28.48 3.24 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -178.468 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.98 176.7 0.19 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.133 0.492 . . . . 0.0 111.891 -179.269 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 60.7 p -144.0 141.53 30.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.937 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -70.11 94.02 0.86 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.856 179.24 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 92.0 p -97.55 -168.67 1.72 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.789 -178.7 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.3 mtmp? -78.02 -40.26 39.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.828 179.089 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.4 -38.58 74.52 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.612 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.529 HG23 HG21 ' A' ' 119' ' ' ILE . 40.1 mt -69.58 -34.79 63.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.237 179.321 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -66.36 -45.14 81.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.759 178.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.86 -45.61 91.78 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.945 178.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.3 m -56.86 -47.69 79.8 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.095 179.092 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.423 HG23 ' CG2' ' A' ' 98' ' ' VAL . 85.6 mt -60.23 -40.87 84.96 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.862 178.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.35 -45.55 91.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.967 -179.727 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.447 ' OE1' ' HA ' ' A' ' 95' ' ' GLN . 5.9 tp60 -64.3 -37.39 87.31 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.991 0.424 . . . . 0.0 109.935 179.541 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.462 ' HE2' ' CB ' ' A' ' 122' ' ' VAL . 6.1 mtpm? -70.51 -35.82 73.43 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 178.343 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 61.06 81.4 0.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.063 -0.971 . . . . 0.0 109.578 -178.444 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.423 ' CG2' HG23 ' A' ' 93' ' ' ILE . 28.8 m -133.66 174.09 13.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.112 -179.056 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 32.8 mttm -96.47 65.73 2.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.406 -179.663 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 60.0 mt -133.49 109.18 13.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.26 179.156 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -127.8 168.49 15.08 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.054 0.454 . . . . 0.0 110.748 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 31.2 tp -83.19 138.08 33.78 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.328 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -79.65 143.56 34.54 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.536 -0.912 . . . . 0.0 108.536 179.131 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -97.79 -2.64 40.6 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 -178.536 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 56.7 m -87.91 -14.52 39.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.692 0.282 . . . . 0.0 111.105 179.251 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -68.6 -158.37 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.986 0.422 . . . . 0.0 111.811 -179.331 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -147.56 -37.38 0.2 Allowed 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.151 -179.534 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 8.0 p80 -114.86 170.65 8.18 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 116.141 -0.482 . . . . 0.0 112.027 -179.166 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 58.9 mt -116.4 72.2 0.81 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.01 178.673 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -131.31 96.17 3.95 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.041 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.53 HG21 HD11 ' A' ' 69' ' ' LEU . 32.1 pt -79.74 174.66 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.96 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 24.9 p -86.74 175.69 8.12 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.301 179.504 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -73.18 -34.81 66.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.057 0.456 . . . . 0.0 110.243 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -51.62 -61.07 2.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.432 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 21.5 m170 -65.72 -31.73 72.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.779 -179.254 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 10.9 ttpp -60.12 -54.25 48.18 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.978 0.418 . . . . 0.0 110.802 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -70.04 -37.88 75.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.599 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.626 HD23 ' O ' ' A' ' 118' ' ' LEU . 5.6 tt -59.77 -44.17 94.0 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.796 -179.277 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.529 HG21 HG23 ' A' ' 89' ' ' ILE . 71.5 mt -83.07 -41.6 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 113.345 0.869 . . . . 0.0 113.345 -177.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -63.9 -35.23 79.97 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 113.458 0.91 . . . . 0.0 113.458 -178.272 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 86.2 p -96.53 34.48 1.64 Allowed 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 -175.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.462 ' CB ' ' HE2' ' A' ' 96' ' ' LYS . 64.4 t -125.71 135.57 63.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.335 178.129 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 19.8 mtm-85 46.64 46.23 14.61 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-O 121.166 0.508 . . . . 0.0 111.384 -178.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -146.84 104.6 3.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.216 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 33.9 mtm180 -72.94 -25.64 61.1 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.791 0.329 . . . . 0.0 111.213 -179.665 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 6.9 ttp85 50.13 -123.06 1.94 Allowed 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 1.2 tttm 75.15 -2.5 2.82 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 118.899 0.772 . . . . 0.0 111.735 179.243 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.31 160.69 19.05 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 179.069 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.74 -26.54 2.44 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.56 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -178.36 155.77 17.57 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.987 -0.625 . . . . 0.0 111.662 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.2 m . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.139 -0.934 . . . . 0.0 110.508 -179.998 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 121.15 0.5 . . . . 0.0 111.519 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -92.12 25.71 2.77 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.564 179.267 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -137.91 29.73 2.55 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.244 178.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -156.22 67.53 0.29 Allowed Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.859 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -60.41 -174.82 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.898 0.38 . . . . 0.0 111.108 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.59 147.53 43.63 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.25 0.548 . . . . 0.0 111.936 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.418 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 45.1 t -48.51 158.74 0.26 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.331 -0.849 . . . . 0.0 111.37 -179.599 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 84.4 m -132.86 28.37 4.21 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.695 -179.344 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.506 HD11 HG21 ' A' ' 111' ' ' ILE . 54.9 mt -114.07 167.01 11.04 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 178.739 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 44.2 mtp85 -129.6 137.1 50.52 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.957 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -113.31 104.29 12.17 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.929 179.168 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 72.37 37.52 0.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.284 -178.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 80.88 0.77 88.98 Favored Glycine 0 N--CA 1.448 -0.53 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.969 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -114.19 152.79 30.67 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.348 0.594 . . . . 0.0 112.117 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.96 169.19 5.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.03 -0.986 . . . . 0.0 111.963 -178.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.418 ' HB3' ' HB3' ' A' ' 67' ' ' CYS . 24.2 t -94.51 -73.61 0.57 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.502 179.506 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.93 -30.64 8.79 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 120.425 -0.893 . . . . 0.0 112.868 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.44 ' NH1' ' HB2' ' A' ' 114' ' ' TYR . 22.3 ttt180 -66.61 134.71 52.88 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 179.567 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.09 156.17 5.77 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.941 0.4 . . . . 0.0 111.58 -178.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.14 155.09 37.38 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.38 -179.488 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -112.25 -129.34 5.24 Favored Glycine 0 C--N 1.332 0.355 0 C-N-CA 120.707 -0.759 . . . . 0.0 113.744 -179.115 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 23.8 p30 -106.57 -19.03 13.79 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -178.477 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -77.33 170.0 17.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.135 0.493 . . . . 0.0 111.856 -179.122 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -138.21 156.84 47.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.387 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -80.02 87.29 5.42 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.811 -0.441 . . . . 0.0 109.811 179.091 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 66.9 p -96.28 -169.71 1.96 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.049 -179.281 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.8 mppp? -78.08 -39.38 41.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.416 178.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.6 tmm_? -53.37 -47.59 69.3 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.798 0.332 . . . . 0.0 110.142 179.31 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.618 HG23 HG21 ' A' ' 119' ' ' ILE . 23.4 mt -65.96 -39.86 85.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.033 179.221 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -58.8 -53.52 57.42 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.022 0.439 . . . . 0.0 110.167 179.396 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.29 -35.73 76.24 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.22 179.589 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.526 ' HA ' ' HG3' ' A' ' 123' ' ' ARG . 36.1 m -60.32 -52.24 66.11 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.795 178.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 89' ' ' ILE . 82.5 mt -57.29 -40.86 76.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.267 179.071 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.412 ' O ' ' HG2' ' A' ' 97' ' ' LYS . 2.8 m -60.53 -33.91 73.34 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.234 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.63 -32.29 63.97 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.337 179.194 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.616 ' HE2' HG21 ' A' ' 122' ' ' VAL . 1.6 mtpm? -77.63 -33.06 53.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.835 178.751 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.412 ' HG2' ' O ' ' A' ' 94' ' ' SER . 30.3 mmtt 57.14 71.44 0.58 Allowed 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.248 -178.355 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 31.6 m -125.31 170.76 14.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.395 -179.068 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 7.8 mmtp -82.95 56.38 3.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.422 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 42.6 mt -132.16 117.97 34.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.414 179.201 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -141.89 166.15 25.52 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.726 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.87 131.95 34.2 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.751 -179.501 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -79.7 147.04 32.11 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 177.475 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -92.3 -14.68 28.46 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -178.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.4 p -71.99 -31.02 65.84 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.748 0.309 . . . . 0.0 111.277 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -49.06 131.78 19.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.155 0.503 . . . . 0.0 111.556 -179.522 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 18.4 ttp180 -75.11 -17.41 60.44 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.043 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 26.2 p80 -146.14 -177.33 5.55 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.977 0.418 . . . . 0.0 111.154 -179.439 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 94.0 mt -103.74 -127.36 0.23 Allowed 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 178.634 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 57.25 115.12 0.01 OUTLIER 'General case' 0 C--N 1.339 0.14 0 CA-C-O 121.278 0.561 . . . . 0.0 111.702 179.027 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.506 HG21 HD11 ' A' ' 69' ' ' LEU . 33.7 pt -102.02 164.75 3.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.475 179.409 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 13.7 p -71.89 159.23 34.63 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.629 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.61 -29.64 69.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.076 0.465 . . . . 0.0 110.246 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.44 ' HB2' ' NH1' ' A' ' 78' ' ' ARG . 33.1 t80 -58.47 -62.14 2.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.498 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 10.8 m80 -61.12 -39.17 89.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.591 -179.102 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 6.3 ttpp -54.42 -53.42 54.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.046 0.45 . . . . 0.0 110.627 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -65.89 -33.78 76.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.163 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.449 HD23 ' O ' ' A' ' 118' ' ' LEU . 5.5 tt -67.18 -39.8 86.49 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.615 -179.291 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.618 HG21 HG23 ' A' ' 89' ' ' ILE . 73.4 mt -85.24 -42.94 16.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -178.071 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -60.52 -34.83 74.69 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -178.326 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 21.5 t -77.4 48.96 0.68 Allowed 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 114.395 1.257 . . . . 0.0 114.395 -176.528 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.616 HG21 ' HE2' ' A' ' 96' ' ' LYS . 72.3 t -153.23 -44.43 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.957 0.408 . . . . 0.0 109.98 178.067 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.526 ' HG3' ' HA ' ' A' ' 92' ' ' SER . 9.1 mmm-85 -98.15 36.9 1.5 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.486 178.387 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -158.08 24.95 0.26 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.604 -179.238 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -80.69 -161.47 0.39 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.558 -179.073 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 38.3 ttt180 65.86 85.48 0.14 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.744 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -149.68 -177.1 5.69 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.804 -179.506 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 5.1 ptp85 -93.68 163.46 13.53 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 177.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.431 ' HG2' ' N ' ' A' ' 130' ' ' GLY . 0.0 OUTLIER -96.85 -28.85 14.05 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.031 0.443 . . . . 0.0 110.609 -179.633 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 130' ' ' GLY . . . . . 0.431 ' N ' ' HG2' ' A' ' 129' ' ' LYS . . . 131.88 70.25 0.09 OUTLIER Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.285 -179.667 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 4.3 m . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.688 179.618 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.416 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 2.5 p . . . . . 0 N--CA 1.484 1.261 0 N-CA-C 110.452 -0.203 . . . . 0.0 110.452 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.416 ' ND2' ' O ' ' A' ' 61' ' ' SER . 1.7 m-80 -161.47 79.16 0.57 Allowed 'General case' 0 CA--C 1.521 -0.17 0 CA-C-O 121.288 0.566 . . . . 0.0 110.741 179.305 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -141.29 28.63 1.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.695 179.116 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -138.74 44.46 1.1 Allowed Glycine 0 N--CA 1.45 -0.411 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.754 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -92.43 -172.01 2.95 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.771 0.32 . . . . 0.0 110.414 -179.59 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.445 ' HA ' ' HA ' ' A' ' 79' ' ' ALA . 3.9 mp -111.12 140.88 45.3 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.273 0.558 . . . . 0.0 111.859 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.434 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 35.2 t -39.94 158.08 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.115 -0.948 . . . . 0.0 111.631 -179.674 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 29.6 p -125.0 39.4 3.99 Favored 'General case' 0 CA--C 1.529 0.144 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 -179.235 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 54.2 mt -130.44 139.73 50.57 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 178.261 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 43.9 mtp180 -110.85 126.39 54.61 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.894 0.378 . . . . 0.0 111.092 -179.511 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -102.62 108.5 19.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.806 178.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 64.88 35.63 8.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.399 -179.007 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 81.64 -6.13 66.58 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 121.007 -0.616 . . . . 0.0 113.087 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -101.48 131.76 47.45 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.058 0.456 . . . . 0.0 111.257 -179.515 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.9 tpp85 -65.18 140.92 58.81 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.996 -178.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.434 ' HB3' ' HB3' ' A' ' 67' ' ' CYS . 7.7 t -56.62 -62.58 1.63 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.644 179.625 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 99.4 -48.01 1.3 Allowed Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.674 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 35.5 ttt-85 -53.84 136.04 41.01 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.445 ' HA ' ' HA ' ' A' ' 66' ' ' LEU . . . -54.62 151.38 8.14 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.815 0.34 . . . . 0.0 111.525 -178.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.51 169.11 1.86 Allowed 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.481 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.415 ' N ' ' HA ' ' A' ' 112' ' ' CYS . . . -127.11 -155.44 8.84 Favored Glycine 0 C--N 1.335 0.478 0 C-N-CA 120.596 -0.811 . . . . 0.0 113.595 -179.249 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -94.59 27.25 3.09 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 112.13 0.419 . . . . 0.0 112.13 -178.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -126.83 148.05 49.99 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.888 0.375 . . . . 0.0 111.625 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 43.4 p -115.89 142.89 46.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.595 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -66.32 121.71 15.85 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.674 178.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 80.2 p -127.37 -166.17 1.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.872 0.367 . . . . 0.0 111.35 -178.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 20.6 mttp -77.22 -41.4 41.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.396 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.412 ' HD2' ' N ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -52.66 -55.99 18.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.111 179.35 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.958 HG23 HG21 ' A' ' 119' ' ' ILE . 60.1 mt -53.74 -43.73 56.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.081 179.401 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 8.4 tm0? -56.51 -48.43 77.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.931 178.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.416 ' HE3' ' NH1' ' A' ' 123' ' ' ARG . 0.0 OUTLIER -59.35 -46.48 88.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.651 179.324 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.405 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 7.1 t -52.35 -50.72 61.8 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.813 178.707 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.41 HG23 ' CG2' ' A' ' 98' ' ' VAL . 72.6 mt -57.01 -41.02 76.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.234 178.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 16.3 t -62.16 -41.8 98.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.21 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 19.8 tp60 -71.67 -41.65 68.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.901 0.381 . . . . 0.0 110.155 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.615 ' CE ' HG21 ' A' ' 122' ' ' VAL . 5.2 mtpm? -66.06 -41.22 91.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.032 178.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 12.9 mttm 70.46 74.91 0.21 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.386 -0.824 . . . . 0.0 109.629 -178.534 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.41 ' CG2' HG23 ' A' ' 93' ' ' ILE . 18.2 m -132.38 166.2 29.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.303 -179.191 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 15.6 mmtm -86.45 55.38 3.53 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.489 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 50.3 mt -118.63 104.46 16.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.907 0.384 . . . . 0.0 110.404 179.214 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -127.82 154.82 44.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.456 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.61 139.16 40.52 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.901 -179.236 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -82.03 144.06 31.11 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 178.21 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.52 -22.2 20.5 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -178.755 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.5 p -60.8 -38.63 86.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.845 0.355 . . . . 0.0 111.124 -179.517 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -59.22 -170.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.682 -179.391 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -141.61 -50.06 0.4 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.347 -179.524 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' HIS . . . . . 0.414 ' HB2' ' CE2' ' A' ' 110' ' ' TYR . 18.3 p80 -80.95 174.24 11.82 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.272 -179.07 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 109' ' ' LEU . 29.9 mt -129.47 82.33 2.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.238 178.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.414 ' CE2' ' HB2' ' A' ' 108' ' ' HIS . 86.5 m-85 -141.03 113.5 8.11 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.761 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 43.7 pt -97.98 154.06 3.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.112 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' CYS . . . . . 0.415 ' HA ' ' N ' ' A' ' 81' ' ' GLY . 7.0 p -67.95 161.88 25.55 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.623 179.533 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.35 -38.12 85.8 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.08 0.467 . . . . 0.0 110.332 179.703 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -48.84 -59.43 3.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.451 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -64.16 -33.59 76.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.843 -179.289 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 16.2 ttpp -59.14 -53.0 63.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.061 0.458 . . . . 0.0 110.491 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -67.31 -37.46 83.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.092 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.526 HD23 ' O ' ' A' ' 118' ' ' LEU . 4.6 tt -64.4 -44.11 92.32 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.655 -179.274 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.958 HG21 HG23 ' A' ' 89' ' ' ILE . 60.0 mt -81.47 -45.04 20.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 -178.321 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -62.35 -32.77 73.6 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -178.52 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.512 ' O ' HG23 ' A' ' 122' ' ' VAL . 74.2 m -105.53 80.29 1.55 Allowed 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 -176.696 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.615 HG21 ' CE ' ' A' ' 96' ' ' LYS . 64.5 t -157.13 -36.33 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.632 178.223 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.416 ' NH1' ' HE3' ' A' ' 91' ' ' LYS . 7.0 mtm180 -88.52 41.33 1.01 Allowed 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 120.913 0.387 . . . . 0.0 110.122 177.787 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -134.0 96.32 3.62 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 14.8 ttp180 -124.46 111.41 15.69 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.231 0.539 . . . . 0.0 111.374 -178.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 12.1 ttt85 -171.71 156.57 4.35 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.506 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.94 139.43 52.59 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.109 0.48 . . . . 0.0 111.644 -179.084 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.7 150.79 26.51 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.164 178.567 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.24 -79.39 0.52 Allowed 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.982 -179.733 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -179.17 -128.95 1.24 Allowed Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.837 -0.697 . . . . 0.0 111.962 -179.654 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 14.6 m . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.747 179.823 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.8 p . . . . . 0 N--CA 1.484 1.274 0 CA-C-O 121.222 0.534 . . . . 0.0 111.413 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -100.04 82.34 2.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.653 179.289 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 56.89 35.63 26.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.619 179.273 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -126.82 39.09 2.03 Favored Glycine 0 CA--C 1.517 0.196 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.351 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 58.3 mm-40 -63.32 171.15 2.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.972 0.415 . . . . 0.0 111.543 -179.596 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 57.1 mt -107.89 149.32 28.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.809 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 35.1 t -45.39 144.66 1.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.074 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.8 p -111.94 35.05 3.87 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -179.068 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.401 HD12 ' ND1' ' A' ' 115' ' ' HIS . 86.5 mt -119.36 160.95 21.3 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 178.112 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.418 ' HG2' ' HD3' ' A' ' 75' ' ' ARG . 42.6 mtp180 -129.83 122.83 29.5 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.239 -179.541 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -105.14 100.34 9.93 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 178.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 60.14 39.43 19.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.502 -179.205 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.403 ' HA2' ' NH2' ' A' ' 70' ' ' ARG . . . 89.14 -3.79 84.43 Favored Glycine 0 CA--C 1.519 0.315 0 C-N-CA 120.879 -0.677 . . . . 0.0 113.173 179.679 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -96.03 111.45 23.46 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 117.107 0.453 . . . . 0.0 110.971 -179.576 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.418 ' HD3' ' HG2' ' A' ' 70' ' ' ARG . 14.1 tpp85 -70.8 61.84 0.26 Allowed 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.795 -179.006 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 4.3 t 32.43 -88.88 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 179.211 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 117.57 -29.48 6.63 Favored Glycine 0 C--N 1.336 0.548 0 C-N-CA 120.419 -0.896 . . . . 0.0 113.029 -179.347 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 48.9 ttt-85 -68.86 147.47 51.66 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.755 0.312 . . . . 0.0 110.623 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.88 154.02 12.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.716 -179.422 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.68 150.19 36.36 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.254 179.163 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -106.03 -140.58 10.06 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.48 -0.867 . . . . 0.0 113.973 -178.672 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -112.23 24.59 12.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.521 -0.339 . . . . 0.0 111.534 -178.57 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.456 ' HB2' ' HD3' ' A' ' 116' ' ' LYS . . . -115.32 167.67 10.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.999 0.428 . . . . 0.0 111.554 -179.647 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 55.7 p -129.84 153.8 47.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.693 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -85.53 113.71 21.99 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.876 179.029 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 78.6 p -116.95 -169.36 1.63 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.157 0.503 . . . . 0.0 111.262 -179.246 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.64 -37.87 55.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.3 178.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? -52.79 -42.74 65.33 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.889 -0.412 . . . . 0.0 109.889 178.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.403 ' O ' HG13 ' A' ' 93' ' ' ILE . 63.2 mt -66.25 -41.27 88.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.712 178.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -56.95 -52.04 66.78 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-O 121.621 0.724 . . . . 0.0 109.299 178.467 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.8 mmtp -54.38 -48.19 71.81 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 114.627 -1.17 . . . . 0.0 109.728 178.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.407 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 27.8 t -56.84 -39.8 74.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.248 178.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 89' ' ' ILE . 89.9 mt -65.44 -45.36 93.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.292 179.271 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 13.6 t -57.54 -36.85 72.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.35 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.434 ' HG2' ' NH1' ' A' ' 123' ' ' ARG . 11.1 tp60 -72.23 -50.65 25.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.852 0.358 . . . . 0.0 110.42 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.635 ' HE2' HG23 ' A' ' 119' ' ' ILE . 16.3 mttm -59.94 -42.65 94.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.053 0.454 . . . . 0.0 110.578 179.189 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.421 ' HB2' ' O ' ' A' ' 96' ' ' LYS . 3.2 mtmt 68.9 76.87 0.23 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.616 -178.051 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 32.8 m -131.83 175.69 10.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.966 -179.385 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.95 64.38 2.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.884 0.373 . . . . 0.0 111.354 -179.571 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 45.1 mt -133.44 104.77 6.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.273 179.112 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -130.06 152.06 49.93 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.056 0.455 . . . . 0.0 110.972 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 17.4 tp -71.97 145.5 48.35 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.61 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -92.53 113.19 25.4 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 177.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 3.0 mmmm -75.34 -5.22 43.63 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -178.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 58.3 m -77.77 -19.36 55.21 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.625 0.25 . . . . 0.0 111.223 179.6 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -79.34 -157.38 0.13 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.699 -179.384 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.4 ptp85 -146.49 -49.3 0.2 Allowed 'General case' 0 N--CA 1.456 -0.136 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.161 -179.512 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 15.0 p80 -80.39 152.03 29.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.506 -179.382 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 79.4 mt -116.03 84.06 2.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.104 178.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -143.58 108.24 4.87 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.356 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 34.2 pt -91.68 160.86 2.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.991 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 9.4 p -76.69 155.31 33.44 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.583 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -56.4 -31.8 64.22 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.124 0.488 . . . . 0.0 110.156 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 79.8 t80 -53.87 -60.64 3.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.244 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' HIS . . . . . 0.401 ' ND1' HD12 ' A' ' 69' ' ' LEU . 16.4 m170 -65.32 -32.53 74.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.763 -179.314 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.456 ' HD3' ' HB2' ' A' ' 83' ' ' ALA . 16.4 ttpp -60.08 -52.97 63.07 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.982 0.42 . . . . 0.0 110.589 179.686 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -66.99 -41.06 87.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.895 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.464 HD23 ' O ' ' A' ' 118' ' ' LEU . 6.0 tt -59.57 -42.16 91.81 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.024 -179.008 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.635 HG23 ' HE2' ' A' ' 96' ' ' LYS . 54.1 mt -87.3 -43.99 15.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 -177.708 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -64.71 -47.25 79.03 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 -178.064 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.6 t -85.08 41.66 0.89 Allowed 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 114.684 1.364 . . . . 0.0 114.684 -174.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.435 ' HB ' ' NZ ' ' A' ' 96' ' ' LYS . 90.4 t -118.67 -26.35 2.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.876 0.37 . . . . 0.0 110.551 177.567 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.434 ' NH1' ' HG2' ' A' ' 95' ' ' GLN . 14.6 mtm180 -127.55 32.78 4.94 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.267 0.556 . . . . 0.0 110.252 178.345 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -56.24 90.02 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.673 179.358 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -138.11 82.21 1.9 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.415 -179.101 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -124.3 -73.95 0.63 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.724 179.297 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 43.5 -172.16 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.225 0.536 . . . . 0.0 111.991 178.766 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 5.9 ptp180 -104.65 159.06 16.07 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 177.349 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.404 ' HD3' ' N ' ' A' ' 130' ' ' GLY . 0.0 OUTLIER -87.62 -109.23 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.687 -0.405 . . . . 0.0 111.525 -179.08 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 130' ' ' GLY . . . . . 0.404 ' N ' ' HD3' ' A' ' 129' ' ' LYS . . . 121.11 -161.85 15.02 Favored Glycine 0 C--N 1.335 0.483 0 C-N-CA 120.335 -0.936 . . . . 0.0 112.039 -179.212 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 11.2 t . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.982 -179.93 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.3 p . . . . . 0 N--CA 1.481 1.083 0 CA-C-O 121.539 0.685 . . . . 0.0 111.422 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -83.41 131.13 35.06 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.993 -1.003 . . . . 0.0 111.24 -179.484 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 53.72 70.39 0.6 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.814 179.004 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -121.1 54.47 0.67 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.824 -0.703 . . . . 0.0 111.919 179.496 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 44.2 mm-40 -104.32 -171.14 1.87 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.08 0.467 . . . . 0.0 111.421 -179.228 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 26.2 mt -123.45 156.94 34.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.496 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 44.8 t -48.38 156.88 0.38 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.84 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 17.3 p -120.08 24.5 10.43 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.846 0.355 . . . . 0.0 111.62 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 63.8 mt -117.31 148.77 41.4 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 178.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.444 ' HG2' ' HD3' ' A' ' 75' ' ' ARG . 68.2 mtp180 -111.29 133.81 53.35 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.795 0.331 . . . . 0.0 111.389 -179.502 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -115.49 111.31 20.56 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.981 179.14 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 56.18 30.42 16.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.689 -179.235 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 96.85 -16.64 60.64 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.859 -0.686 . . . . 0.0 113.307 179.349 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -86.54 137.09 32.79 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.119 0.485 . . . . 0.0 111.722 -179.417 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.503 ' O ' ' N ' ' A' ' 77' ' ' GLY . 6.3 tpp85 -80.78 59.24 3.6 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.562 -178.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 7.5 t 45.15 -78.79 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 179.224 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 103.78 -15.31 52.55 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.308 -179.361 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 10.2 ttt180 -87.69 141.48 28.57 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.871 0.367 . . . . 0.0 110.576 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.53 158.49 1.78 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.69 -179.542 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -83.41 154.11 24.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.893 178.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -109.94 -106.6 3.0 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.176 -1.012 . . . . 0.0 113.891 -178.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -135.21 -37.74 0.78 Allowed 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -178.251 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.71 165.45 0.6 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.131 0.491 . . . . 0.0 111.875 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 96.2 p -136.2 137.3 40.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.739 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -59.8 137.71 57.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.924 179.176 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 88.4 p -144.64 -163.58 1.73 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.05 -179.128 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.3 mmtm -78.71 -36.7 43.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.497 179.023 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.47 -41.05 93.38 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.706 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.772 HG23 HG21 ' A' ' 119' ' ' ILE . 9.7 mt -69.3 -37.2 75.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 178.495 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.34 -44.99 95.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.796 178.776 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.72 -40.14 91.91 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.256 179.512 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.455 ' HA ' ' NE ' ' A' ' 123' ' ' ARG . 1.7 m -61.05 -44.48 97.32 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.068 178.753 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 95.6 mt -64.23 -46.17 94.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.09 179.005 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.0 -47.16 68.49 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.165 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 63.2 tp60 -66.98 -30.62 70.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.038 0.447 . . . . 0.0 110.182 179.625 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.426 ' HE2' ' HA ' ' A' ' 119' ' ' ILE . 42.4 mttp -72.57 -51.07 21.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.404 179.009 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 2.5 tptm 73.42 61.23 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.316 -178.331 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 27.4 m -117.58 167.91 10.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.411 -179.098 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 6.9 mmtp -82.09 52.94 2.09 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.236 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.405 ' HA ' ' O ' ' A' ' 70' ' ' ARG . 54.7 mt -134.73 105.34 6.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.454 179.616 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -136.98 151.24 48.77 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.891 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.5 tp -64.74 140.1 58.83 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.667 -179.653 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.421 ' HB2' ' HD2' ' A' ' 70' ' ' ARG . 43.9 t0 -101.71 147.36 26.54 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 177.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.4 ' HE3' ' HA ' ' A' ' 104' ' ' LYS . 0.1 OUTLIER -90.4 -13.56 34.72 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -178.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.4 p -64.75 -21.66 66.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.802 0.334 . . . . 0.0 110.967 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -75.41 -172.22 1.71 Allowed 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 121.091 0.472 . . . . 0.0 111.898 -179.392 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.87 -56.76 0.73 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.105 -179.671 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 28.8 p80 -80.45 151.94 29.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.935 -178.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 83.8 mt -108.13 76.42 1.04 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.684 178.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -140.35 124.43 17.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.044 -179.365 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 30.0 pt -103.56 166.46 2.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.009 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 9.7 p -84.23 165.19 18.57 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.419 179.513 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -63.4 -33.23 75.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.007 0.432 . . . . 0.0 110.395 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -55.56 -61.21 2.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.242 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 21.9 m170 -66.68 -36.61 82.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.61 -179.406 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 10.2 ttpp -56.28 -52.53 64.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.93 0.395 . . . . 0.0 110.31 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -65.19 -44.92 86.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.073 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.53 HD23 ' O ' ' A' ' 118' ' ' LEU . 5.2 tt -55.21 -49.64 71.42 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.832 -179.175 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.772 HG21 HG23 ' A' ' 89' ' ' ILE . 60.0 mt -78.05 -42.93 28.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 113.404 0.89 . . . . 0.0 113.404 -177.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -62.86 -30.77 71.76 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 -178.433 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -106.29 53.54 0.7 Allowed 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 -176.626 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 118' ' ' LEU . 88.2 t -134.53 -41.12 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.864 0.364 . . . . 0.0 110.119 177.646 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.455 ' NE ' ' HA ' ' A' ' 92' ' ' SER . 1.2 mtm105 -109.77 79.37 1.21 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.358 0.599 . . . . 0.0 109.663 178.371 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 19.4 p30 -119.38 16.5 13.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.433 -179.246 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 54.1 mtp180 -120.41 99.79 6.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.886 0.374 . . . . 0.0 111.512 -179.554 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 20.9 ttt180 -78.87 -58.96 2.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.659 178.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.423 ' O ' ' HB3' ' A' ' 128' ' ' ARG . 1.5 mtpp 55.1 85.9 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.586 -0.734 . . . . 0.0 112.965 178.734 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.423 ' HB3' ' O ' ' A' ' 127' ' ' LYS . 2.5 ptt180 174.0 -169.88 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.843 178.327 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 3.4 mtpp -162.74 -89.66 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 135.52 -174.22 21.38 Favored Glycine 0 N--CA 1.449 -0.433 0 N-CA-C 111.448 -0.661 . . . . 0.0 111.448 -178.014 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 60.4 p . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.232 -0.89 . . . . 0.0 111.009 -179.866 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 45.0 t . . . . . 0 N--CA 1.481 1.075 0 CA-C-O 121.571 0.7 . . . . 0.0 112.006 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -126.62 142.51 51.52 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.99 -1.004 . . . . 0.0 109.016 178.452 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 59.28 30.74 20.53 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.994 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -81.55 49.55 4.06 Favored Glycine 0 C--N 1.33 0.238 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.392 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -123.75 171.12 9.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.925 0.393 . . . . 0.0 110.41 -179.339 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 62.6 mt -109.21 169.63 8.56 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.304 179.385 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.413 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 39.4 t -62.75 141.78 58.44 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.411 179.742 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 26.9 p -105.11 34.38 3.24 Favored 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -179.104 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 51.0 mt -114.73 164.02 14.65 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 178.483 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 25.8 mtp-105 -131.45 102.81 6.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.709 0.29 . . . . 0.0 111.056 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -92.02 102.46 15.01 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.025 179.092 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 66.55 39.46 3.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.701 -179.133 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 82.83 -13.98 39.94 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.848 -0.691 . . . . 0.0 113.14 179.676 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -85.35 129.83 34.72 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.023 0.44 . . . . 0.0 110.883 -179.458 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.496 ' O ' ' N ' ' A' ' 77' ' ' GLY . 7.5 tpp85 -82.48 63.28 6.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.371 -178.473 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.413 ' HB3' ' HB3' ' A' ' 67' ' ' CYS . 7.6 t 32.4 -83.83 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 178.609 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 104.79 -17.64 45.2 Favored Glycine 0 C--N 1.336 0.556 0 C-N-CA 120.591 -0.814 . . . . 0.0 113.014 179.644 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 32.4 ttm180 -80.5 157.72 26.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.883 0.373 . . . . 0.0 110.663 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.78 142.77 57.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.959 -179.236 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.71 154.63 41.22 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.08 179.107 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -114.17 -141.88 7.87 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.366 -0.921 . . . . 0.0 113.909 -178.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -93.97 -33.11 13.58 Favored 'General case' 0 C--N 1.333 -0.113 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -178.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.428 ' HB2' ' HD3' ' A' ' 116' ' ' LYS . . . -65.81 152.06 45.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.063 0.459 . . . . 0.0 111.86 -179.137 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 24.6 p -114.55 -179.19 3.56 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.143 179.294 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.479 ' CD2' HD13 ' A' ' 102' ' ' LEU . 85.2 t80 -108.11 92.13 3.94 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 178.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 86.5 p -92.6 -170.14 2.39 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.76 -178.747 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.47 -40.9 41.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.828 179.594 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.469 ' NE ' HG13 ' A' ' 89' ' ' ILE . 0.0 OUTLIER -52.91 -46.79 68.21 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.792 179.697 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.469 HG13 ' NE ' ' A' ' 88' ' ' ARG . 58.6 mt -62.31 -40.56 88.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.807 0.337 . . . . 0.0 110.104 179.633 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 11.5 tm0? -59.57 -51.4 69.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.811 179.029 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.39 -38.9 74.99 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.62 179.163 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.423 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 52.3 m -64.89 -36.42 84.29 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.891 179.047 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 96.7 mt -74.71 -29.17 22.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.018 178.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 47.5 t -68.75 -56.39 8.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.086 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -52.11 -24.04 6.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.888 0.375 . . . . 0.0 110.297 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' A' ' 92' ' ' SER . 33.1 mttm -89.67 -47.82 7.68 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-O 121.301 0.572 . . . . 0.0 110.044 178.541 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 70.1 81.43 0.17 Allowed 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.367 -178.587 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 28.0 m -130.04 169.01 21.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.229 -179.05 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 8.9 mttp -80.68 61.51 4.39 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.928 0.394 . . . . 0.0 111.297 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 74.4 mt -142.92 104.9 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.363 179.261 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -132.07 165.99 22.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.267 179.621 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.479 HD13 ' CD2' ' A' ' 85' ' ' PHE . 0.6 OUTLIER -82.55 120.85 26.04 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.002 0.43 . . . . 0.0 111.766 -179.71 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -61.17 112.59 2.18 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 178.281 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 14.6 mmtp -66.56 -24.38 66.35 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -179.099 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 10.4 p -58.97 -34.43 71.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.796 0.331 . . . . 0.0 111.034 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -70.92 -173.67 0.83 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.139 0.495 . . . . 0.0 112.049 -179.069 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.7 mtp180 -132.68 -59.99 0.89 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.702 -179.63 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -60.72 158.04 13.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.934 -178.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 71.5 mt -120.9 84.6 2.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.761 178.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -148.64 117.83 6.84 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.245 -179.571 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 34.2 pt -103.57 157.98 5.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 23.5 p -74.14 161.87 29.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.525 179.699 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.39 -33.63 75.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.022 0.439 . . . . 0.0 110.285 179.531 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -51.85 -60.95 2.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.157 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 12.1 m80 -63.19 -42.98 99.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.728 -179.175 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.428 ' HD3' ' HB2' ' A' ' 83' ' ' ALA . 7.5 ttpp -53.03 -48.93 67.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.097 0.475 . . . . 0.0 110.496 179.664 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -68.98 -37.89 79.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.157 -179.494 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.531 ' O ' HG23 ' A' ' 122' ' ' VAL . 5.2 tt -64.16 -41.07 97.3 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.684 -179.25 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 59.8 mt -84.3 -34.42 9.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 113.312 0.856 . . . . 0.0 113.312 -177.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -73.19 -34.45 65.98 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 113.328 0.862 . . . . 0.0 113.328 -178.263 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 16.4 m -93.96 15.58 16.5 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 115.065 1.506 . . . . 0.0 115.065 -176.119 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 118' ' ' LEU . 43.2 t -82.18 -43.92 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 C-N-CA 120.14 -0.624 . . . . 0.0 109.596 178.163 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 10.6 mtp85 -82.2 73.26 9.24 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.067 177.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 35.5 p30 -124.34 55.83 1.29 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.41 179.656 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 5.2 mtt180 -158.98 -40.56 0.06 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.884 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 15.9 ttp180 -71.02 -48.27 54.0 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.246 0.546 . . . . 0.0 109.653 178.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 15.2 ttpp 52.42 97.65 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.329 -0.851 . . . . 0.0 112.58 178.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -138.51 151.32 47.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.18 178.331 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 6.2 tttp -146.65 10.8 1.08 Allowed 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 147.43 -116.28 0.83 Allowed Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.844 -0.693 . . . . 0.0 111.682 -179.18 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 17.7 p . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.257 -0.878 . . . . 0.0 111.006 179.762 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.485 1.285 0 CA-C-O 121.213 0.53 . . . . 0.0 111.294 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -131.99 115.8 16.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.454 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 62.9 85.77 0.13 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.215 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -85.38 48.16 3.96 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.289 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 34.0 mm-40 -85.83 -171.82 3.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.855 0.36 . . . . 0.0 110.915 -179.519 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 70.5 mt -111.87 138.38 48.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.501 179.02 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.424 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 17.5 t -44.66 138.59 3.3 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.978 179.785 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 24.6 p -102.93 37.21 2.0 Favored 'General case' 0 N--CA 1.462 0.173 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -179.029 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 67.6 mt -118.03 149.07 41.58 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 178.397 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.454 ' HG2' ' HD3' ' A' ' 75' ' ' ARG . 19.9 mtm180 -121.66 111.42 17.17 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.562 -179.432 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -96.54 108.27 20.82 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 178.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 61.08 24.14 14.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.784 -179.03 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 100.13 0.19 56.01 Favored Glycine 0 C--N 1.333 0.38 0 C-N-CA 120.884 -0.674 . . . . 0.0 113.428 179.53 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.435 ' O ' ' HA ' ' A' ' 70' ' ' ARG . 0.1 OUTLIER -98.9 121.0 40.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 117.164 0.482 . . . . 0.0 111.118 -179.555 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.572 ' O ' ' N ' ' A' ' 77' ' ' GLY . 0.0 OUTLIER -74.53 55.02 0.62 Allowed 'General case' 0 C--O 1.222 -0.345 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.549 -179.004 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.424 ' HB3' ' HB3' ' A' ' 67' ' ' CYS . 4.5 t 44.45 -69.67 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 -179.727 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.572 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 98.54 -33.83 5.75 Favored Glycine 0 N--CA 1.449 -0.475 0 N-CA-C 110.484 -1.046 . . . . 0.0 110.484 -178.811 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.424 ' HD3' ' HB2' ' A' ' 112' ' ' CYS . 13.3 ttt85 -62.82 144.15 56.85 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 114.942 -0.629 . . . . 0.0 110.142 179.227 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.17 156.37 34.28 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.45 -179.623 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.33 152.05 42.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.948 179.013 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -108.06 -125.44 5.27 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.365 -0.921 . . . . 0.0 113.964 -178.618 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -111.74 -29.33 7.74 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -178.476 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -73.6 168.15 19.9 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.153 0.501 . . . . 0.0 112.08 -178.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -126.72 171.38 11.23 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.194 179.645 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -92.88 107.69 19.42 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 178.74 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 88.2 p -112.63 -167.67 1.22 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.198 0.523 . . . . 0.0 111.875 -178.508 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.54 -44.34 24.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.099 -179.793 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? -51.76 -43.61 63.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.283 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.824 HG23 HG21 ' A' ' 119' ' ' ILE . 15.8 mt -65.07 -39.96 87.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.2 179.244 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -60.02 -52.28 66.06 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.024 0.44 . . . . 0.0 110.076 179.287 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -54.32 -44.53 72.12 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.546 179.432 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 15.2 t -54.76 -52.11 63.6 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.874 178.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 81.0 mt -55.77 -41.02 64.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.244 179.157 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 67.9 m -64.18 -36.25 83.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.213 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 34.7 tp60 -73.66 -33.49 64.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.901 0.381 . . . . 0.0 110.075 179.646 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.476 ' HE3' HG21 ' A' ' 122' ' ' VAL . 27.6 mttp -78.28 -38.43 42.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.608 178.459 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 63.58 83.44 0.16 Allowed 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.208 -0.906 . . . . 0.0 109.686 -178.6 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 28.6 m -136.04 166.11 27.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.154 -179.238 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.06 56.88 2.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.299 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 51.6 mt -129.13 121.54 54.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.476 179.238 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -146.11 152.33 39.13 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.684 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.41 ' HG ' ' N ' ' A' ' 103' ' ' ASP . 0.4 OUTLIER -66.38 137.98 57.26 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.136 0.493 . . . . 0.0 111.599 -179.681 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.41 ' N ' ' HG ' ' A' ' 102' ' ' LEU . 34.7 t0 -75.92 122.57 24.35 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 177.825 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.8 mmpt? -85.57 -1.9 57.59 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -179.225 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 81.1 p -98.71 21.46 11.35 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.79 0.329 . . . . 0.0 110.751 179.511 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -109.17 -172.41 2.04 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 121.176 0.512 . . . . 0.0 111.765 -179.237 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.45 -31.08 1.24 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.772 179.64 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 20.8 p80 -96.33 168.84 10.32 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.173 0.511 . . . . 0.0 111.961 -179.117 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 77.6 mt -134.79 72.93 1.46 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.71 178.676 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -142.88 116.75 9.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.172 -179.355 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 28.8 pt -93.17 173.72 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' CYS . . . . . 0.424 ' HB2' ' HD3' ' A' ' 78' ' ' ARG . 9.0 p -90.72 163.99 14.29 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.568 179.756 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -59.73 -34.29 72.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.96 0.409 . . . . 0.0 110.796 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -55.47 -62.83 1.42 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.669 -179.536 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 9.2 m80 -61.62 -32.72 72.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.399 -179.271 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.414 ' O ' ' HB2' ' A' ' 120' ' ' GLN . 10.6 ttpp -61.24 -54.13 48.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.908 0.385 . . . . 0.0 110.462 179.707 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.425 ' O ' ' HB2' ' A' ' 121' ' ' SER . 28.4 t30 -67.06 -26.22 66.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.032 -179.597 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.706 HD23 ' O ' ' A' ' 118' ' ' LEU . 3.9 tt -73.76 -41.08 62.97 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.424 -179.515 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.824 HG21 HG23 ' A' ' 89' ' ' ILE . 46.5 mt -87.31 -36.92 10.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 -178.008 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.414 ' HB2' ' O ' ' A' ' 116' ' ' LYS . 5.0 mm100 -75.11 -39.81 60.37 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 -178.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.425 ' HB2' ' O ' ' A' ' 117' ' ' ASN . 37.6 m -94.3 38.61 1.09 Allowed 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 115.423 1.638 . . . . 0.0 115.423 -175.457 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.476 HG21 ' HE3' ' A' ' 96' ' ' LYS . 22.0 t -109.19 -28.41 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 177.107 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 19.3 mtm180 -100.7 54.62 0.87 Allowed 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 178.259 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 15.8 p30 -86.02 39.49 0.81 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.836 -179.163 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.34 -48.49 27.83 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.185 0.517 . . . . 0.0 110.499 179.731 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.415 ' O ' ' HB2' ' A' ' 127' ' ' LYS . 44.5 mtm180 -144.65 -42.86 0.24 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.256 179.679 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.415 ' HB2' ' O ' ' A' ' 126' ' ' ARG . 0.9 OUTLIER 73.99 -7.64 1.58 Allowed 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.79 -0.641 . . . . 0.0 112.401 179.291 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -101.58 164.37 11.79 Favored 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 178.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.49 -24.08 3.97 Favored 'General case' 0 C--N 1.318 -0.787 0 C-N-CA 120.901 -0.32 . . . . 0.0 111.618 179.758 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 158.54 -78.97 0.18 Allowed Glycine 0 N--CA 1.447 -0.582 0 N-CA-C 111.511 -0.636 . . . . 0.0 111.511 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 28.3 m . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.44 179.367 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.7 m . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 121.347 0.594 . . . . 0.0 111.466 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 17.7 m120 65.32 23.86 12.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.205 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -127.06 128.66 46.64 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 178.212 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.33 46.6 7.39 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.109 -1.043 . . . . 0.0 110.752 -178.109 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -67.75 176.93 2.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.161 0.505 . . . . 0.0 111.675 -179.196 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.417 ' HA ' ' HA ' ' A' ' 79' ' ' ALA . 0.2 OUTLIER -111.3 139.1 46.97 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.419 179.765 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 49.3 t -45.72 140.99 3.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.283 -0.871 . . . . 0.0 111.498 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 22.4 p -105.84 22.97 14.69 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.604 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 45.0 mt -108.48 146.34 33.33 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 178.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.446 ' HG2' ' HD3' ' A' ' 75' ' ' ARG . 37.1 mtp180 -114.32 131.55 56.49 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.302 -179.282 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -115.55 103.75 11.04 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.663 178.73 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 65.23 17.15 10.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.917 -178.661 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 112.57 -21.91 18.18 Favored Glycine 0 C--N 1.334 0.463 0 C-N-CA 120.695 -0.764 . . . . 0.0 113.316 179.486 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -80.34 134.64 36.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.805 0.302 . . . . 0.0 111.58 -179.385 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.535 ' O ' ' N ' ' A' ' 77' ' ' GLY . 0.0 OUTLIER -80.54 56.27 2.55 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.003 -179.417 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 4.4 t 49.32 -71.58 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 179.713 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.535 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 103.77 -36.88 4.05 Favored Glycine 0 N--CA 1.45 -0.405 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 -178.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 43.6 ttt180 -71.53 140.1 49.76 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 178.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.417 ' HA ' ' HA ' ' A' ' 66' ' ' LEU . . . -66.06 160.61 23.46 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.923 0.392 . . . . 0.0 111.573 -178.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.33 159.77 31.96 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.114 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -123.66 -120.93 2.59 Favored Glycine 0 C--N 1.332 0.33 0 C-N-CA 120.485 -0.864 . . . . 0.0 113.657 -179.178 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -108.02 -42.3 4.71 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -178.636 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.402 ' HB2' ' CD ' ' A' ' 116' ' ' LYS . . . -53.67 142.94 21.66 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.08 0.467 . . . . 0.0 111.658 -179.214 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 25.1 p -116.96 139.4 50.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.722 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -65.25 124.24 21.67 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.089 179.367 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.57 -171.22 2.35 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.92 0.39 . . . . 0.0 111.494 -179.322 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -76.75 -37.75 55.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.835 179.74 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.64 -47.4 73.55 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.017 178.807 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.582 HG23 HG21 ' A' ' 119' ' ' ILE . 67.3 mt -63.32 -35.81 73.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.007 179.012 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -64.37 -47.42 79.36 Favored 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 178.259 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -58.48 -40.8 83.74 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-N 114.336 -1.302 . . . . 0.0 110.264 178.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.1 m -64.99 -52.49 55.89 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.108 178.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.472 HG23 HG22 ' A' ' 98' ' ' VAL . 91.7 mt -55.96 -35.77 41.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.289 179.108 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.15 -53.13 58.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.15 -179.716 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.28 -40.04 95.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.838 0.351 . . . . 0.0 110.191 179.777 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 33.3 mtpt -67.91 -38.8 83.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.355 0.598 . . . . 0.0 109.834 178.573 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.419 ' HA ' ' HE3' ' A' ' 97' ' ' LYS . 0.0 OUTLIER 57.86 74.49 0.42 Allowed 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.585 -178.623 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.472 HG22 HG23 ' A' ' 93' ' ' ILE . 19.6 m -120.61 166.53 14.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.194 -179.114 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 5.1 mmtm -76.39 57.63 1.21 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.097 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 46.8 mt -140.52 118.04 9.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.882 0.372 . . . . 0.0 110.448 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -139.45 165.8 26.25 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.28 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.82 131.92 34.22 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.456 0.646 . . . . 0.0 112.006 -179.432 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -76.66 145.92 38.48 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.001 -1.0 . . . . 0.0 108.731 177.466 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 35.7 mttp -102.38 -23.87 13.91 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.865 0.364 . . . . 0.0 110.871 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.4 t -60.01 -16.87 34.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.177 179.041 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -84.31 -153.94 0.16 Allowed 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.613 -179.636 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.31 -54.77 0.08 Allowed 'General case' 0 C--O 1.232 0.173 0 CA-C-O 121.024 0.44 . . . . 0.0 110.718 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 23.4 p80 -68.78 151.41 46.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.894 -0.593 . . . . 0.0 112.022 -179.071 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 96.7 mt -113.23 62.7 0.64 Allowed 'General case' 0 C--O 1.231 0.12 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.407 179.245 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -128.75 122.49 30.74 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.946 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 38.9 pt -107.02 161.05 6.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 120.916 0.388 . . . . 0.0 110.928 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 20.3 p -74.5 172.5 11.88 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.427 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -72.02 -32.11 66.84 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.12 0.486 . . . . 0.0 110.115 179.691 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 47.1 t80 -50.72 -58.25 6.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.209 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 16.7 m80 -66.3 -39.87 89.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.643 -179.291 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.431 ' O ' ' HB2' ' A' ' 120' ' ' GLN . 12.6 ttpp -53.0 -50.2 64.66 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.875 0.369 . . . . 0.0 110.241 179.727 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 64.8 t-20 -69.68 -39.95 76.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.351 -179.653 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.727 HD23 ' O ' ' A' ' 118' ' ' LEU . 4.4 tt -62.34 -35.37 78.9 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.848 -179.139 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.582 HG21 HG23 ' A' ' 89' ' ' ILE . 71.6 mt -92.14 -49.42 13.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 -177.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.431 ' HB2' ' O ' ' A' ' 116' ' ' LYS . 9.8 mm-40 -52.22 -38.63 58.53 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 113.202 0.816 . . . . 0.0 113.202 -178.577 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 42.7 m -78.29 29.87 0.18 Allowed 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 115.344 1.609 . . . . 0.0 115.344 -175.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 80.8 t -103.51 -51.14 8.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 177.719 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 5.1 mtt-85 -100.8 15.18 29.24 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.349 177.15 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 32.3 m-20 -161.89 79.36 0.55 Allowed 'General case' 0 C--O 1.231 0.084 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.047 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 8.4 ttp180 -60.38 -55.89 28.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.122 -179.348 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.4 mmm180 -124.34 28.12 6.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.206 0.526 . . . . 0.0 110.342 179.029 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 40.4 tttp 57.41 75.18 0.38 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.405 -0.816 . . . . 0.0 112.137 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.17 -0.65 19.2 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.917 177.713 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 13.9 tptp 54.69 -124.74 2.2 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.594 179.337 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 161.92 -74.26 0.19 Allowed Glycine 0 N--CA 1.445 -0.728 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 34.3 t . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.206 179.029 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 73.7 p . . . . . 0 N--CA 1.484 1.252 0 CA-C-O 120.834 0.349 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 29.0 t30 65.2 164.18 0.15 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.856 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 51.86 87.13 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.324 179.667 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -164.86 50.44 0.28 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.958 -0.639 . . . . 0.0 111.973 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -91.42 164.81 13.69 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.983 0.42 . . . . 0.0 111.35 -179.526 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.75 151.32 26.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.396 179.699 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 22.4 t -46.89 148.71 1.0 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.457 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 29.8 p -117.52 13.47 14.38 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 58.3 mt -104.6 149.97 25.06 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 178.314 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.41 ' HA ' ' O ' ' A' ' 74' ' ' GLU . 14.3 mtp180 -114.59 113.9 25.0 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.821 0.343 . . . . 0.0 111.505 -179.203 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -98.54 113.87 26.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.076 179.15 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 59.57 25.92 14.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.709 -179.176 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 94.19 -1.8 67.8 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.784 -0.722 . . . . 0.0 113.153 179.62 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.41 ' O ' ' HA ' ' A' ' 70' ' ' ARG . 1.0 OUTLIER -99.93 135.15 41.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 117.196 0.498 . . . . 0.0 111.41 -179.689 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.545 ' O ' ' N ' ' A' ' 77' ' ' GLY . 4.8 tpp85 -77.54 55.75 1.34 Allowed 'General case' 0 C--O 1.226 -0.172 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.069 -179.629 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER 46.63 -70.77 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 113.817 1.043 . . . . 0.0 113.817 -179.619 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.545 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 100.33 -23.24 36.6 Favored Glycine 0 N--CA 1.45 -0.367 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 -178.746 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 45.9 ttt180 -80.93 154.42 27.01 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 178.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.22 158.62 34.87 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.025 0.441 . . . . 0.0 111.709 -178.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.02 159.26 26.28 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.063 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -112.53 -127.75 4.87 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.508 -0.853 . . . . 0.0 113.681 -179.027 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -124.08 -3.0 8.1 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 -178.355 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.501 ' HB2' ' CD ' ' A' ' 116' ' ' LYS . . . -89.44 175.73 7.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.083 0.468 . . . . 0.0 111.631 -179.528 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -136.7 145.8 45.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.648 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -78.78 112.97 16.45 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 178.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 87.9 p -119.85 -164.9 1.11 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.352 -178.718 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.7 mmmm -79.2 -44.49 21.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.137 179.319 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -51.06 -50.76 58.03 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.564 -179.503 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.546 HG23 HG21 ' A' ' 119' ' ' ILE . 69.5 mt -59.73 -39.63 80.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.346 179.544 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -60.54 -31.1 70.21 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.014 0.435 . . . . 0.0 109.835 179.02 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.6 tmtp? -75.58 -43.79 46.48 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.638 179.231 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.0 m -59.44 -32.25 70.04 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.939 178.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.467 HD11 HD13 ' A' ' 119' ' ' ILE . 79.5 mt -79.4 -47.06 22.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.853 178.798 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.5 t -51.27 -53.99 30.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.085 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -61.77 -16.04 46.3 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.755 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.608 ' HE3' HG11 ' A' ' 122' ' ' VAL . 45.7 mttp -92.66 -37.04 12.63 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 177.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.77 73.18 0.46 Allowed 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.459 -178.332 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 9.1 m -120.39 179.13 2.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.246 -179.403 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.17 53.11 2.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.273 -179.566 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 88.8 mt -128.71 118.27 46.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.151 179.094 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -143.18 170.1 16.36 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.745 -179.547 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 103' ' ' ASP . 22.2 tp -94.34 140.25 30.03 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.234 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.41 ' O ' ' HG ' ' A' ' 102' ' ' LEU . 7.3 t0 -88.66 162.45 16.3 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 178.557 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.8 mtmm -102.92 -13.41 16.94 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.605 -0.438 . . . . 0.0 112.115 -178.734 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 86.8 p -66.8 -32.01 73.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.754 0.311 . . . . 0.0 111.591 -179.567 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -82.22 139.44 34.25 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.938 0.399 . . . . 0.0 112.055 -178.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.11 -27.2 13.94 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.672 179.447 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 25.2 p80 -91.64 149.77 21.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.992 -178.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 73.8 mt -110.67 80.73 1.34 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.506 179.178 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -140.1 106.37 5.26 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.268 179.5 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 32.5 pt -90.56 165.42 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.95 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 21.1 p -78.82 173.5 12.45 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.45 179.589 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 63.4 t0 -73.5 -23.38 60.03 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.601 179.268 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -62.46 -61.34 2.51 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.257 -179.343 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 22.9 m170 -63.04 -28.78 70.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.439 -179.543 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.501 ' CD ' ' HB2' ' A' ' 83' ' ' ALA . 18.2 ttpp -66.13 -53.96 31.36 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.864 0.364 . . . . 0.0 110.437 179.769 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -66.21 -30.93 71.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.12 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.826 ' O ' HG23 ' A' ' 122' ' ' VAL . 6.0 tt -70.83 -52.05 22.8 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.799 -179.095 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.546 HG21 HG23 ' A' ' 89' ' ' ILE . 79.1 mt -76.55 -42.89 35.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -178.001 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.419 ' HB2' ' O ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -65.35 -32.53 74.22 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 -178.466 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 74.4 m -104.95 34.89 2.99 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 115.33 1.604 . . . . 0.0 115.33 -175.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.826 HG23 ' O ' ' A' ' 118' ' ' LEU . 69.6 t -106.52 -45.93 8.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 C-N-CA 120.177 -0.609 . . . . 0.0 109.82 177.661 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.419 ' HG3' ' NZ ' ' A' ' 96' ' ' LYS . 61.8 mtp180 -89.05 -29.95 19.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.047 0.451 . . . . 0.0 110.0 178.538 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 49.56 81.03 0.06 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.402 -179.569 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 16.9 ttt85 -75.59 70.96 2.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.802 0.334 . . . . 0.0 111.449 -179.099 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 8.2 ttt180 -93.21 55.03 2.22 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.052 179.386 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 11.3 mttp -137.64 92.86 2.73 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.249 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 20.6 tpp180 56.9 101.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.281 179.105 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -115.94 -50.97 2.66 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.104 0.478 . . . . 0.0 110.404 179.655 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 140.97 177.53 16.34 Favored Glycine 0 N--CA 1.448 -0.515 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.871 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 34.0 p . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.311 -0.852 . . . . 0.0 110.746 179.794 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 16.1 p . . . . . 0 N--CA 1.485 1.305 0 CA-C-O 120.984 0.421 . . . . 0.0 110.821 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 49.74 72.52 0.31 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.29 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -148.99 25.01 0.93 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.984 178.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -115.46 66.44 0.29 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.973 -0.632 . . . . 0.0 112.215 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 69.2 mm-40 -107.49 162.65 13.75 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.898 0.38 . . . . 0.0 110.683 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -117.77 152.29 35.59 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 179.773 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 53.5 t -41.27 144.97 0.27 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.516 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 20.6 p -108.33 28.84 7.92 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.933 0.397 . . . . 0.0 111.527 -179.57 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 30.2 mt -130.49 161.4 31.52 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.666 178.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.487 ' HD2' ' HD3' ' A' ' 75' ' ' ARG . 6.2 mtm180 -127.55 117.94 23.02 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.701 0.286 . . . . 0.0 110.833 179.711 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -94.78 122.0 36.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.905 0.383 . . . . 0.0 110.001 179.156 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 54.26 30.81 13.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.736 -179.25 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 92.0 -12.26 69.98 Favored Glycine 0 CA--C 1.519 0.338 0 C-N-CA 120.784 -0.722 . . . . 0.0 113.24 179.448 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -91.81 139.11 30.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.885 0.343 . . . . 0.0 111.431 -179.606 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.487 ' HD3' ' HD2' ' A' ' 70' ' ' ARG . 1.6 tpp85 -75.36 59.99 1.1 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.518 -179.139 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 6.9 t 47.39 -78.58 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 113.318 0.859 . . . . 0.0 113.318 179.238 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 113.94 -23.93 12.42 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.622 -0.799 . . . . 0.0 111.763 -178.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 45.6 mtt-85 -88.81 148.62 23.81 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 179.194 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.11 157.92 37.36 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.013 0.435 . . . . 0.0 111.969 -178.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.39 155.45 18.06 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.017 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -109.36 -114.21 3.66 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.513 -0.851 . . . . 0.0 113.548 -179.174 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -133.32 -33.63 1.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.454 0.538 . . . . 0.0 112.454 -178.523 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.42 175.83 0.71 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.041 0.448 . . . . 0.0 112.096 -179.29 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.0 p -130.24 161.72 30.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.427 179.591 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -91.19 108.1 19.65 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.115 179.432 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 62.0 p -112.68 -164.33 0.91 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.098 -179.539 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.0 tppp? -79.27 -42.71 25.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.277 178.56 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -53.01 -37.55 61.58 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.808 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.756 HG23 HG21 ' A' ' 119' ' ' ILE . 8.3 mt -70.14 -48.14 63.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 178.74 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.12 -43.77 70.75 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.552 0.691 . . . . 0.0 109.493 178.702 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.3 mmtp -66.2 -42.9 88.17 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 114.888 -1.051 . . . . 0.0 110.152 179.061 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 28.1 t -59.22 -32.27 69.8 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.321 179.282 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 70.7 mt -79.97 -39.79 19.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.388 179.423 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.0 m -61.82 -37.83 85.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.265 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -70.65 -36.98 73.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.886 0.374 . . . . 0.0 110.25 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.729 ' HE3' HG11 ' A' ' 122' ' ' VAL . 29.3 mttp -73.49 -45.98 50.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.271 0.558 . . . . 0.0 110.135 178.544 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 73.83 75.89 0.13 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.366 -178.446 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 23.8 m -128.37 166.57 25.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.119 -179.287 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 10.6 mttp -80.19 63.66 4.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.324 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 74.0 mt -135.37 105.1 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.398 179.208 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -127.58 153.91 45.83 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.429 179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.06 124.67 28.32 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.994 0.426 . . . . 0.0 111.83 -179.459 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -65.46 154.07 39.54 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 177.686 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.4 mtpp -105.17 -18.58 14.09 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.642 -0.423 . . . . 0.0 111.604 -179.312 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 47.3 p -74.13 -6.96 50.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.627 -0.261 . . . . 0.0 111.354 179.541 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -61.43 -176.62 0.08 Allowed 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 121.219 0.533 . . . . 0.0 112.109 -179.221 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 8.3 mtm180 -148.14 20.31 1.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.398 179.587 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 33.6 p80 -168.41 169.27 10.7 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.799 -179.188 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 88.3 mt -123.24 77.64 1.5 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.101 179.126 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -141.2 106.59 5.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.338 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 43.9 pt -87.12 159.57 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.942 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 25.1 p -76.39 165.7 24.47 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.689 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -63.38 -39.91 95.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.186 179.271 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -48.23 -61.48 1.97 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.566 -179.356 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 22.6 m170 -66.95 -34.17 77.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.801 -179.203 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 6.7 ttpp -55.87 -50.64 70.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.023 0.439 . . . . 0.0 110.709 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 49.6 t-20 -70.25 -41.49 73.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.392 -179.438 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 10.5 tt -60.14 -40.23 89.1 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.821 -179.359 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.756 HG21 HG23 ' A' ' 89' ' ' ILE . 50.0 mt -83.92 -43.88 17.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 -178.224 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.407 ' O ' ' HB3' ' A' ' 124' ' ' ASN . 95.7 mt-30 -69.19 -35.67 76.49 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 -178.643 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 95.5 p -77.72 6.82 6.66 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 114.463 1.283 . . . . 0.0 114.463 -176.203 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.729 HG11 ' HE3' ' A' ' 96' ' ' LYS . 51.8 t -108.65 102.56 14.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 C-N-CA 120.065 -0.654 . . . . 0.0 110.843 178.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.489 ' HD3' ' HD2' ' A' ' 126' ' ' ARG . 92.6 mtt-85 49.04 62.04 2.81 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-O 121.463 0.649 . . . . 0.0 111.408 -179.35 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ASN . . . . . 0.407 ' HB3' ' O ' ' A' ' 120' ' ' GLN . 0.8 OUTLIER -73.28 -21.02 60.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.003 -0.999 . . . . 0.0 111.657 -179.928 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 14.4 ttm105 -114.08 35.27 4.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.85 0.357 . . . . 0.0 111.463 -179.488 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.489 ' HD2' ' HD3' ' A' ' 123' ' ' ARG . 3.4 tpm_? -89.66 19.7 4.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.06 178.496 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -145.75 85.97 1.71 Allowed 'General case' 0 N--CA 1.449 -0.505 0 CA-C-O 121.073 0.463 . . . . 0.0 110.642 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -131.34 150.71 52.04 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.536 179.098 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -103.71 44.23 1.03 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.369 0.604 . . . . 0.0 110.661 179.774 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -177.18 -33.28 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.263 0 CA-C-N 115.145 -0.934 . . . . 0.0 111.924 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 26.9 t . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.663 179.319 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.482 1.142 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -107.0 -6.22 17.63 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.641 -0.424 . . . . 0.0 110.31 177.379 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -82.26 75.07 9.2 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 177.073 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 120.71 83.56 0.76 Allowed Glycine 0 N--CA 1.447 -0.582 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 -178.014 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 72.1 mm-40 -54.12 170.73 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.166 0.508 . . . . 0.0 111.961 -178.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 64.7 mt -108.86 155.99 20.18 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.642 179.558 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 32.0 t -60.16 149.81 31.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.893 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 61.3 m -117.51 39.92 3.19 Favored 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -179.238 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 54.8 mt -122.18 158.45 29.36 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 178.239 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.414 ' O ' ' HA ' ' A' ' 100' ' ' ILE . 49.8 mtm180 -129.75 129.42 44.12 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.46 -0.337 . . . . 0.0 111.172 -179.549 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -105.01 107.01 17.76 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.997 178.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 39.9 t0 64.23 30.74 13.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.607 -179.205 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 96.96 -29.72 10.16 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.882 -0.675 . . . . 0.0 113.14 179.388 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -78.12 139.31 39.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.027 0.441 . . . . 0.0 111.643 -179.424 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.2 tpp85 -76.12 146.53 39.21 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.907 -179.078 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 47.6 t -65.22 -83.84 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.618 179.672 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 110.99 -30.99 7.58 Favored Glycine 0 C--N 1.333 0.376 0 C-N-CA 120.326 -0.94 . . . . 0.0 113.181 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 37.4 ttt85 -59.79 144.43 48.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.729 0.3 . . . . 0.0 110.71 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.409 ' O ' ' HB3' ' A' ' 112' ' ' CYS . . . -52.14 156.09 1.73 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.439 -179.727 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.99 162.42 28.6 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.375 179.27 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -115.4 -134.0 5.49 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.294 -0.955 . . . . 0.0 113.975 -178.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -111.65 -20.2 12.21 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 111.852 0.316 . . . . 0.0 111.852 -178.334 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.414 ' CB ' ' HG3' ' A' ' 116' ' ' LYS . . . -80.7 168.8 18.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.109 0.48 . . . . 0.0 111.673 -179.382 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.2 m -133.51 145.28 50.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.638 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -63.73 131.15 46.98 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 178.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 61.1 p -142.18 -176.84 4.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.138 0.494 . . . . 0.0 111.719 -179.095 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.1 mmmm -72.39 -42.09 65.59 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.903 179.445 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -52.76 -43.94 66.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.951 179.149 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.743 HG23 HG21 ' A' ' 119' ' ' ILE . 9.7 mt -65.32 -39.09 84.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.137 179.22 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -58.35 -40.77 83.11 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 178.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.2 tptm -63.98 -50.34 68.94 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.567 178.55 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 9.6 t -52.78 -36.68 58.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.248 179.295 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 96.5 mt -74.44 -42.99 49.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.484 179.304 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 6.9 t -57.55 -39.38 76.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.11 -179.588 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -69.78 -40.48 76.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.018 0.437 . . . . 0.0 110.151 179.601 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.443 ' O ' ' HB2' ' A' ' 97' ' ' LYS . 23.8 mtpp -67.24 -42.4 84.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.502 179.201 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.443 ' HB2' ' O ' ' A' ' 96' ' ' LYS . 9.5 mmtt 68.06 57.0 0.51 Allowed 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.647 -178.453 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 20.7 m -106.74 160.07 6.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.468 -179.404 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 4.3 mmtm -77.67 55.32 1.32 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.406 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.414 ' HA ' ' O ' ' A' ' 70' ' ' ARG . 61.7 mt -125.84 123.48 64.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.883 0.373 . . . . 0.0 110.477 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -142.87 145.06 32.76 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.612 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.7 tp -68.44 134.78 50.68 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.087 -0.506 . . . . 0.0 112.0 -179.357 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 52.9 t0 -86.79 122.05 30.13 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 177.75 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.4 mtpp -79.64 -13.47 59.47 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -178.531 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 40.3 p -82.7 9.56 9.37 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-O 120.57 0.224 . . . . 0.0 111.185 179.342 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -78.48 -135.52 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 116.719 -0.219 . . . . 0.0 111.429 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 12.4 tpp85 -161.49 -62.28 0.05 Allowed 'General case' 0 C--N 1.34 0.164 0 CA-C-O 121.236 0.541 . . . . 0.0 110.428 -179.607 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 18.3 p80 -94.86 -177.94 4.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.721 -178.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 85.3 mt -133.14 69.27 1.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.07 179.231 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -140.48 95.85 2.94 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.065 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 40.8 pt -73.68 169.89 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.131 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' CYS . . . . . 0.409 ' HB3' ' O ' ' A' ' 79' ' ' ALA . 8.7 p -80.34 169.21 18.05 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.585 179.614 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -68.41 -39.78 81.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.179 0.514 . . . . 0.0 110.153 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -50.24 -61.46 2.15 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.46 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 10.5 m170 -64.88 -36.04 83.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.829 -179.285 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.414 ' HG3' ' CB ' ' A' ' 83' ' ' ALA . 8.3 ttpp -55.48 -53.75 52.43 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.046 0.451 . . . . 0.0 110.528 179.712 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -64.75 -42.53 95.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.621 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.517 HD23 ' O ' ' A' ' 118' ' ' LEU . 3.2 tt -57.28 -41.9 80.61 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.875 -178.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.743 HG21 HG23 ' A' ' 89' ' ' ILE . 49.5 mt -81.99 -43.83 19.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 -178.021 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -73.94 -34.02 64.15 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 113.475 0.917 . . . . 0.0 113.475 -178.594 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 5.7 t -76.79 -0.4 23.71 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 114.54 1.311 . . . . 0.0 114.54 -175.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 118' ' ' LEU . 84.6 t -81.0 -34.51 13.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 C-N-CA 120.134 -0.626 . . . . 0.0 110.248 179.132 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.431 ' CZ ' ' HB2' ' A' ' 123' ' ' ARG . 7.4 mtm-85 -104.74 -35.89 7.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.932 179.184 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 46.22 45.48 12.94 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.94 179.777 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 3.5 mtp180 -96.38 114.67 26.37 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -179.13 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.437 ' O ' ' N ' ' A' ' 128' ' ' ARG . 24.4 mtp180 -105.25 -84.44 0.5 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.797 178.534 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 50.76 -85.91 0.01 OUTLIER 'General case' 0 CA--C 1.528 0.12 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.706 179.534 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 126' ' ' ARG . 7.1 ptp180 -132.35 -154.47 0.62 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.76 -44.41 0.48 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 118.965 0.802 . . . . 0.0 111.191 179.693 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -168.29 101.16 0.17 Allowed Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.394 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 12.9 t . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.175 -0.917 . . . . 0.0 110.714 179.735 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 N--CA 1.484 1.26 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -111.78 22.31 15.09 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 121.007 0.432 . . . . 0.0 110.879 178.694 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -149.79 45.61 0.93 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.841 179.186 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -168.65 48.57 0.22 Allowed Glycine 0 N--CA 1.451 -0.357 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.85 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.417 ' O ' ' HA ' ' A' ' 79' ' ' ALA . 10.4 mm100 -77.42 177.24 8.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.784 0.326 . . . . 0.0 111.2 -179.561 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 37.6 mt -118.14 152.61 35.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.713 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 48.6 t -45.95 151.2 0.49 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.955 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 31.3 p -113.84 23.71 12.77 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -179.448 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 96.8 mt -104.61 150.93 24.24 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 178.394 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 78.7 mtp180 -117.6 119.55 35.33 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.781 0.324 . . . . 0.0 111.045 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -96.08 113.26 24.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.876 179.026 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 58.23 24.15 11.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.456 -178.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 96.57 -6.55 65.3 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.879 -0.677 . . . . 0.0 113.156 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -95.58 126.04 40.59 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.16 0.505 . . . . 0.0 111.302 -179.544 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.6 tpp85 -65.84 115.1 5.6 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.556 -0.747 . . . . 0.0 112.26 -178.64 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 51.4 t -55.08 114.07 1.62 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.228 179.083 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -94.72 55.17 1.95 Allowed Glycine 0 CA--C 1.519 0.293 0 C-N-CA 120.673 -0.775 . . . . 0.0 113.329 -179.124 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 55.0 ttt85 -127.93 146.56 50.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.757 0.313 . . . . 0.0 110.533 179.197 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.417 ' HA ' ' O ' ' A' ' 65' ' ' GLN . . . -55.68 135.92 51.0 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.935 -179.31 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.21 147.17 48.53 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.099 179.095 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -96.17 -130.38 6.36 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.559 -0.829 . . . . 0.0 113.851 -178.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -121.19 -12.83 8.62 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 -178.66 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.441 ' HB2' ' HD2' ' A' ' 116' ' ' LYS . . . -71.53 171.12 11.94 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.939 0.4 . . . . 0.0 111.461 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 69.9 p -139.74 125.26 19.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.944 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -51.67 137.04 26.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.093 179.285 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -144.56 -158.75 0.91 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.795 -179.255 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.1 mttp -80.32 -51.58 8.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 112.094 178.62 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 5.6 tmm_? -51.17 -36.89 43.35 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.968 -179.136 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.597 HG23 HG21 ' A' ' 119' ' ' ILE . 47.9 mt -69.34 -39.04 78.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 179.077 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.99 -49.16 78.57 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 178.337 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.439 ' HA ' ' HE3' ' A' ' 91' ' ' LYS . 0.0 OUTLIER -59.63 -38.14 80.54 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 114.928 -1.033 . . . . 0.0 110.074 179.384 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.425 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 41.2 t -62.09 -50.69 70.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.82 178.861 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 88.4 mt -58.36 -40.83 79.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.452 179.305 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 73.4 m -62.51 -36.64 83.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.065 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 9.0 tp60 -70.55 -25.05 62.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.893 0.377 . . . . 0.0 110.198 179.505 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.438 ' HE3' ' HA ' ' A' ' 119' ' ' ILE . 32.7 mttm -82.7 -41.86 18.79 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.405 178.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.433 ' HB2' ' O ' ' A' ' 96' ' ' LYS . 0.1 OUTLIER 72.6 69.83 0.13 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.298 -0.865 . . . . 0.0 109.322 -177.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 33.7 m -132.46 172.62 16.09 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.374 -179.167 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 16.1 mmtm -93.95 66.93 3.67 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.458 -179.606 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 54.1 mt -138.38 98.3 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.359 179.244 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -123.42 175.08 6.95 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.876 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 33.6 tp -89.86 136.29 33.13 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.292 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -80.59 155.15 27.04 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 178.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 8.5 mttm -104.12 -24.23 13.2 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 120.368 -0.533 . . . . 0.0 111.51 -179.262 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 7.8 p -70.94 -16.82 62.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.648 0.261 . . . . 0.0 110.937 179.467 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -66.06 -165.78 0.03 OUTLIER 'General case' 0 C--O 1.231 0.091 0 CA-C-O 120.96 0.41 . . . . 0.0 111.757 -179.612 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.1 -67.42 0.39 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.886 -179.812 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 27.4 p80 -74.86 153.8 38.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.956 -179.06 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 93.9 mt -111.05 77.99 1.08 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.593 179.439 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -142.75 129.55 20.48 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.267 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 19.1 pt -105.11 168.11 2.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.984 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 14.0 p -84.53 167.79 16.02 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.666 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.33 -31.42 72.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.072 0.463 . . . . 0.0 110.267 179.679 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 58.1 t80 -56.63 -61.99 2.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.457 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 19.7 m80 -65.98 -39.28 90.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.527 -179.133 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.441 ' HD2' ' HB2' ' A' ' 83' ' ' ALA . 0.6 OUTLIER -54.2 -44.63 71.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.985 0.421 . . . . 0.0 110.449 179.801 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -73.82 -37.5 64.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.937 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.454 HD23 ' O ' ' A' ' 118' ' ' LEU . 7.5 tt -61.67 -37.33 83.71 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.558 -179.381 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.597 HG21 HG23 ' A' ' 89' ' ' ILE . 53.5 mt -90.23 -53.56 8.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 -177.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -61.17 -30.83 70.64 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 -178.247 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -102.09 45.1 0.98 Allowed 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 114.5 1.296 . . . . 0.0 114.5 -176.294 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 118' ' ' LEU . 81.9 t -122.6 -44.04 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 177.588 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 9.6 mtm-85 -91.17 48.09 1.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 178.425 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 19.7 p-10 -122.75 -32.85 3.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.573 -179.305 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -134.16 178.87 6.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.431 0.634 . . . . 0.0 111.947 -178.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 3.0 mtp180 -119.58 23.07 11.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.096 -0.956 . . . . 0.0 110.023 179.195 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 4.1 mmtp -147.6 108.4 4.18 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.393 -179.689 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 11.7 ptp85 -78.1 170.42 16.65 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 178.279 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 26.8 tttp -124.24 -20.28 5.3 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 121.026 -0.27 . . . . 0.0 111.504 179.572 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 125.87 125.38 2.87 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.811 -0.709 . . . . 0.0 111.836 -179.556 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.338 -0.839 . . . . 0.0 110.828 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.5 t . . . . . 0 N--CA 1.484 1.229 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -111.53 131.66 55.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.919 0.39 . . . . 0.0 110.054 178.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -139.95 -31.4 0.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.708 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -86.45 44.34 3.32 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.615 -0.803 . . . . 0.0 112.71 179.579 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -73.63 -172.58 1.26 Allowed 'General case' 0 CA--C 1.518 -0.267 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.416 ' HA ' ' HA ' ' A' ' 79' ' ' ALA . 4.1 mp -117.44 137.63 52.38 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-O 121.395 0.617 . . . . 0.0 112.317 179.785 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 24.6 t -45.25 142.72 1.94 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 114.926 -1.034 . . . . 0.0 111.404 -179.675 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 20.5 p -106.31 11.49 30.98 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.831 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.46 HD23 ' HA ' ' A' ' 102' ' ' LEU . 53.6 mt -98.97 162.9 12.82 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.86 0.362 . . . . 0.0 110.174 178.123 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.454 ' HG2' ' HD3' ' A' ' 75' ' ' ARG . 35.7 mtp180 -122.54 143.09 49.95 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.812 -179.732 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -124.45 110.61 14.73 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.068 179.061 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 59.04 25.18 13.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.663 -179.177 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 102.22 -10.07 56.51 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.787 -0.72 . . . . 0.0 113.245 179.586 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.409 ' OE1' ' HA ' ' A' ' 74' ' ' GLU . 3.7 mm-40 -94.55 135.25 36.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 117.025 0.412 . . . . 0.0 111.472 -179.701 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.517 ' O ' ' N ' ' A' ' 77' ' ' GLY . 0.5 OUTLIER -78.62 58.89 2.35 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.473 -179.327 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 3.8 t 44.73 -76.94 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 179.1 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 105.23 -37.4 3.83 Favored Glycine 0 N--CA 1.451 -0.361 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -178.686 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 31.7 ttt180 -65.43 150.39 48.42 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 178.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.416 ' HA ' ' HA ' ' A' ' 66' ' ' LEU . . . -71.52 162.69 29.05 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.295 -179.128 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -80.76 146.29 31.07 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.301 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -111.78 -142.54 8.83 Favored Glycine 0 C--N 1.334 0.428 0 C-N-CA 120.737 -0.744 . . . . 0.0 113.995 -179.013 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -97.11 24.21 6.56 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -178.661 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.762 ' HB2' ' HD3' ' A' ' 116' ' ' LYS . . . -113.4 153.16 29.04 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.026 0.441 . . . . 0.0 111.525 -179.753 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 69.2 p -122.99 152.31 41.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.604 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -90.7 116.48 28.6 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.011 179.239 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 96.5 p -118.3 -168.09 1.47 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.032 -179.386 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.14 -34.2 49.95 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.869 178.39 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.28 -46.53 83.03 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 120.774 0.321 . . . . 0.0 110.619 179.68 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.734 HG23 HG21 ' A' ' 119' ' ' ILE . 87.5 mt -65.55 -33.81 66.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.085 0.469 . . . . 0.0 110.046 179.028 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.27 -48.5 75.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.485 0.659 . . . . 0.0 109.523 178.767 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.13 -43.24 99.19 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.714 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.5 m -59.14 -49.84 76.32 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 178.456 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.402 ' HA ' ' HD3' ' A' ' 96' ' ' LYS . 57.0 mt -56.92 -35.83 48.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.736 178.688 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 40.8 m -62.96 -43.31 99.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.958 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -68.92 -35.12 76.45 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.133 0.492 . . . . 0.0 109.993 179.584 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.402 ' HD3' ' HA ' ' A' ' 93' ' ' ILE . 26.0 mtpt -73.68 -33.97 64.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.905 178.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 55.42 59.94 3.64 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.402 -178.689 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 31.3 m -108.12 172.85 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.378 -179.278 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 23.6 mtmm -85.63 58.84 5.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.049 0.452 . . . . 0.0 111.399 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 64.7 mt -138.06 125.75 29.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.045 179.034 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -153.09 149.75 28.41 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.785 -179.411 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.692 HD12 ' H ' ' A' ' 103' ' ' ASP . 32.0 tp -60.55 142.97 54.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.294 0.568 . . . . 0.0 112.023 -179.313 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.692 ' H ' HD12 ' A' ' 102' ' ' LEU . 41.4 t0 -99.87 137.01 38.93 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 177.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 38.0 mmtm -96.29 -20.33 18.61 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -178.6 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 82.8 p -55.22 -21.31 13.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.667 0.27 . . . . 0.0 111.229 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -75.26 175.13 8.63 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.23 0.538 . . . . 0.0 112.211 -179.253 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.12 -27.04 8.53 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.498 179.544 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 11.6 p80 -125.58 176.64 6.72 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.405 -179.272 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 94.6 mt -101.07 -121.46 0.16 Allowed 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.411 178.77 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 63.04 119.97 0.02 OUTLIER 'General case' 0 N--CA 1.456 -0.174 0 CA-C-O 121.134 0.492 . . . . 0.0 111.687 179.316 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 28.0 pt -113.25 156.47 14.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.292 179.299 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 17.4 p -73.51 165.6 24.77 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.722 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -66.16 -27.8 68.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.307 179.499 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 93.6 t80 -56.53 -61.68 2.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.539 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 24.3 m170 -65.2 -36.44 84.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.619 -179.24 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.762 ' HD3' ' HB2' ' A' ' 83' ' ' ALA . 9.5 ttpp -56.84 -53.11 61.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.001 0.429 . . . . 0.0 110.543 179.786 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -66.44 -43.22 86.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.199 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.56 ' O ' HG23 ' A' ' 122' ' ' VAL . 6.7 tt -58.6 -44.21 89.79 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.779 -179.263 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.734 HG21 HG23 ' A' ' 89' ' ' ILE . 74.8 mt -78.13 -53.22 14.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 113.14 0.793 . . . . 0.0 113.14 -178.078 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -57.68 -41.12 80.93 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 -178.403 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 82.9 p -76.76 4.1 10.37 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 114.48 1.289 . . . . 0.0 114.48 -175.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 118' ' ' LEU . 98.3 t -88.53 -32.32 5.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 118.459 0.572 . . . . 0.0 110.158 178.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 59.1 mtp180 -107.38 -14.37 14.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.499 178.147 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 63.4 t30 48.33 53.79 11.36 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 121.095 0.474 . . . . 0.0 110.287 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -82.34 -95.54 0.05 Allowed 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.494 -178.608 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 3.5 ttm-85 -88.25 178.15 6.68 Favored 'General case' 0 N--CA 1.457 -0.113 0 O-C-N 121.995 -0.441 . . . . 0.0 109.973 179.493 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 4.9 tmtp? -172.91 149.5 1.92 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.098 0.475 . . . . 0.0 111.114 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 10.1 ptt180 -92.87 -177.52 4.54 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 178.372 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.402 ' HG3' ' N ' ' A' ' 130' ' ' GLY . 0.0 OUTLIER -152.35 -34.16 0.13 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.727 0.299 . . . . 0.0 111.211 179.668 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 130' ' ' GLY . . . . . 0.402 ' N ' ' HG3' ' A' ' 129' ' ' LYS . . . -165.31 -142.23 3.36 Favored Glycine 0 N--CA 1.446 -0.657 0 N-CA-C 111.427 -0.669 . . . . 0.0 111.427 178.785 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.915 179.265 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 83.0 p . . . . . 0 N--CA 1.482 1.163 0 N-CA-C 111.661 0.245 . . . . 0.0 111.661 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -145.4 -39.16 0.25 Allowed 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.349 179.134 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -129.68 5.14 5.06 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.418 177.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -140.81 64.32 0.52 Allowed Glycine 0 C--N 1.337 0.585 0 C-N-CA 121.166 -0.54 . . . . 0.0 111.772 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -80.45 -173.84 4.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.961 0.41 . . . . 0.0 111.065 -179.639 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 16.6 mt -121.47 160.11 24.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.537 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 43.7 t -63.39 158.5 20.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.615 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 88.7 m -121.66 36.09 4.71 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -178.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 77.3 mt -121.12 152.05 39.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.701 0.286 . . . . 0.0 110.305 178.197 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 50.6 mtp85 -123.53 121.58 36.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.064 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -103.63 118.49 36.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.249 179.181 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 54.9 49.86 16.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.687 -179.371 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 64.42 10.56 43.27 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.934 -0.65 . . . . 0.0 113.077 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -114.1 125.62 54.18 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 121.033 0.444 . . . . 0.0 111.021 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.5 tpt180 -66.6 134.21 51.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.649 -0.705 . . . . 0.0 112.083 -178.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 42.5 t -52.7 -68.51 0.16 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.594 179.399 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 85.51 -12.44 58.92 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.689 -0.767 . . . . 0.0 113.206 179.462 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 58.1 ttt85 -71.8 141.85 49.67 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.853 0.359 . . . . 0.0 110.641 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.02 134.69 43.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.775 -179.446 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.83 155.01 28.11 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.008 179.074 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -113.12 -112.5 3.11 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.21 -0.995 . . . . 0.0 113.805 -178.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -126.21 -17.39 5.24 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -178.45 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -83.68 162.12 20.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.156 0.503 . . . . 0.0 112.078 -178.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 83.0 p -124.41 157.53 34.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.448 179.481 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -80.52 122.39 26.97 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.739 179.3 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 54.4 p -128.6 -169.07 2.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.205 0.526 . . . . 0.0 111.635 -179.07 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 29.7 mttp -78.04 -39.8 40.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.381 179.159 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.475 ' NE ' HG13 ' A' ' 89' ' ' ILE . 0.0 OUTLIER -53.32 -42.96 67.23 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.324 179.588 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.875 HG23 HG21 ' A' ' 119' ' ' ILE . 14.6 mt -69.48 -32.23 52.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.132 179.172 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.85 -46.39 85.24 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 178.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.2 tptp -64.3 -43.37 94.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.481 178.631 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 13.6 t -56.38 -42.34 77.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.163 179.193 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 63.0 mt -68.58 -47.14 78.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.431 179.307 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 9.9 t -56.73 -37.57 71.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.036 -179.682 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 9.6 tp60 -70.2 -41.06 74.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.989 0.423 . . . . 0.0 109.954 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.564 ' HE2' HG11 ' A' ' 122' ' ' VAL . 4.3 mtpm? -69.32 -35.06 75.57 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.425 179.103 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 17.1 mmtp 65.38 80.37 0.23 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.62 -178.555 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 17.1 m -141.31 171.2 12.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.089 -179.448 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.8 mttp -90.02 70.42 7.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.152 0.501 . . . . 0.0 111.459 -179.496 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 61.3 mt -137.8 118.5 16.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.199 179.234 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -148.51 172.33 14.67 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.611 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 41.9 tp -85.52 144.93 27.64 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.631 -179.454 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -99.84 127.91 45.97 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 178.432 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 5.6 mmtp -75.13 -3.08 30.71 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -178.537 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 51.8 p -79.8 -21.1 44.7 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 121.106 -0.237 . . . . 0.0 111.115 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -77.98 -163.53 0.43 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.873 0.368 . . . . 0.0 111.744 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -141.87 -73.53 0.31 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.331 -179.479 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -66.44 166.27 12.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.619 -178.71 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 23.7 mt -116.94 82.73 1.85 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.708 178.424 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -144.07 113.24 6.86 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.303 -179.184 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 25.8 pt -98.56 156.48 3.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.171 -179.605 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 21.5 p -69.08 164.17 23.1 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.464 179.531 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -64.91 -40.21 94.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.051 0.453 . . . . 0.0 110.594 179.576 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -47.7 -60.29 2.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.14 -179.584 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -61.81 -42.37 98.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.632 -179.549 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 10.0 ttpp -50.7 -47.63 58.94 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.103 0.478 . . . . 0.0 110.612 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -68.72 -46.4 69.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.186 -179.45 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.64 HD23 ' O ' ' A' ' 118' ' ' LEU . 6.7 tt -55.91 -38.29 70.05 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.773 -179.453 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.875 HG21 HG23 ' A' ' 89' ' ' ILE . 57.6 mt -87.85 -55.05 6.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 113.515 0.932 . . . . 0.0 113.515 -177.771 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -61.24 -44.47 97.2 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 114.045 1.128 . . . . 0.0 114.045 -177.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.419 ' O ' ' ND2' ' A' ' 124' ' ' ASN . 8.2 t -68.1 7.3 0.58 Allowed 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 114.663 1.357 . . . . 0.0 114.663 -176.071 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.564 HG11 ' HE2' ' A' ' 96' ' ' LYS . 75.6 t -87.16 -53.28 10.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 118.527 0.603 . . . . 0.0 110.274 178.271 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 14.2 mtp180 -90.35 -12.18 38.44 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.934 178.561 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ASN . . . . . 0.419 ' ND2' ' O ' ' A' ' 121' ' ' SER . 1.6 m120 49.68 80.83 0.06 Allowed 'General case' 0 C--O 1.231 0.085 0 CA-C-O 120.79 0.329 . . . . 0.0 110.253 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.28 101.2 7.03 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.91 -178.657 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -129.67 23.47 5.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.25 178.497 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 58.62 76.16 0.36 Allowed 'General case' 0 N--CA 1.461 0.124 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.37 179.697 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.87 -171.11 3.84 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.247 178.512 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.67 -86.98 0.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.316 -0.554 . . . . 0.0 111.739 -179.056 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 104.78 33.76 3.71 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.437 -0.887 . . . . 0.0 112.384 -178.449 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 12.0 p . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.318 -0.849 . . . . 0.0 110.79 179.702 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.4 ' OG ' ' N ' ' A' ' 62' ' ' ASN . 83.6 p . . . . . 0 N--CA 1.484 1.225 0 N-CA-C 111.609 0.225 . . . . 0.0 111.609 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.4 ' N ' ' OG ' ' A' ' 61' ' ' SER . 0.2 OUTLIER -113.74 -29.13 7.2 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.472 -179.5 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -114.12 27.28 9.62 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.058 0.456 . . . . 0.0 110.065 178.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -142.09 71.32 0.41 Allowed Glycine 0 N--CA 1.45 -0.384 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.959 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 -102.39 -159.54 0.73 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.781 0.324 . . . . 0.0 110.751 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 19.7 mt -127.48 147.35 50.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.615 179.596 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.423 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 20.1 t -54.18 142.59 25.31 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.665 179.649 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 94.0 m -106.7 36.89 2.48 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 112.095 0.405 . . . . 0.0 112.095 -179.002 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.413 HD11 HG21 ' A' ' 111' ' ' ILE . 40.3 mt -128.63 160.37 32.66 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 178.487 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 64.4 mtp85 -129.09 125.57 37.47 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.871 0.367 . . . . 0.0 111.127 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.406 ' O ' ' HB2' ' A' ' 72' ' ' ASP . 31.8 tt0 -105.61 112.8 26.02 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.857 179.037 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.406 ' HB2' ' O ' ' A' ' 71' ' ' GLU . 0.6 OUTLIER 68.39 41.87 1.73 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.699 -179.037 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 66.29 7.59 39.73 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.941 -0.647 . . . . 0.0 113.011 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -118.1 130.74 56.31 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.912 0.386 . . . . 0.0 110.431 -179.47 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.7 tpt180 -54.75 141.06 33.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.992 -0.549 . . . . 0.0 112.172 -178.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.423 ' HB3' ' HB3' ' A' ' 67' ' ' CYS . 6.8 t -58.75 -57.47 12.88 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.458 179.491 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 86.96 -15.79 51.08 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.86 -0.686 . . . . 0.0 113.128 179.448 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.402 ' HD3' ' HB2' ' A' ' 112' ' ' CYS . 49.4 ttt85 -80.65 131.57 35.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.769 0.319 . . . . 0.0 110.593 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.416 ' O ' ' HB3' ' A' ' 112' ' ' CYS . . . -47.31 153.0 0.54 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.612 -179.647 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.88 155.37 40.66 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.208 179.288 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -104.52 -112.27 3.69 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.349 -0.929 . . . . 0.0 113.73 -178.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -128.91 -37.59 1.71 Allowed 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 -178.512 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.11 171.88 5.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.235 0.54 . . . . 0.0 112.114 -178.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 96.1 p -134.63 143.9 47.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.697 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -63.81 130.25 43.39 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.004 179.312 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 60.6 p -136.08 -164.1 1.5 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.063 0.459 . . . . 0.0 111.28 -179.153 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.8 mttp -78.89 -47.34 16.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.976 178.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.68 -40.42 62.89 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.505 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.708 HG23 HG21 ' A' ' 119' ' ' ILE . 47.3 mt -68.68 -31.95 53.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.022 0.439 . . . . 0.0 110.075 178.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.67 -39.13 84.51 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.401 178.695 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 22.3 tptp -66.03 -47.67 73.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.619 178.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.44 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 43.3 t -55.78 -46.18 77.99 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.764 178.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 78.1 mt -65.35 -36.37 77.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.352 179.232 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 24.5 t -64.86 -40.46 95.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.309 -179.417 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -73.52 -43.32 60.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.756 0.312 . . . . 0.0 110.336 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.44 ' HG3' ' O ' ' A' ' 92' ' ' SER . 16.1 mtpp -64.92 -31.1 72.17 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.154 0.502 . . . . 0.0 109.674 178.645 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 3.3 mmtt 55.89 80.34 0.14 Allowed 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.973 -178.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 15.7 m -128.74 172.12 15.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.856 -179.504 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 23.0 mttp -90.52 60.24 4.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.02 0.438 . . . . 0.0 111.349 -179.675 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 68.3 mt -128.17 112.87 28.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.049 179.081 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -130.68 160.4 34.37 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.812 -179.639 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -85.24 123.58 30.89 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.75 -179.306 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -76.17 109.43 9.83 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 178.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 22.7 mttp -67.82 -7.88 31.42 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.512 0.56 . . . . 0.0 112.512 -178.293 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 87.8 p -70.6 -30.76 67.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.881 0.372 . . . . 0.0 110.662 179.516 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -69.37 -170.7 0.29 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.995 -179.265 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -131.21 -79.17 0.52 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.404 -179.594 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 28.9 p80 -54.54 160.42 1.78 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.134 0.492 . . . . 0.0 111.659 -179.192 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 85.9 mt -116.27 81.41 1.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.343 179.215 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -144.61 119.43 9.89 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.498 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.413 HG21 HD11 ' A' ' 69' ' ' LEU . 44.2 pt -100.09 158.82 3.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.985 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' CYS . . . . . 0.416 ' HB3' ' O ' ' A' ' 79' ' ' ALA . 7.9 p -70.51 168.14 16.88 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.686 179.658 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -67.41 -31.12 71.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.22 0.533 . . . . 0.0 110.181 179.6 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.403 ' O ' ' HB2' ' A' ' 118' ' ' LEU . 55.6 t80 -54.37 -57.64 10.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.102 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 16.7 m170 -70.68 -35.89 73.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.733 -179.432 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.415 ' O ' ' HB2' ' A' ' 120' ' ' GLN . 15.7 ttpp -55.55 -53.22 59.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.916 0.389 . . . . 0.0 110.432 179.665 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -70.34 -37.38 74.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.356 -179.402 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.635 HD23 ' O ' ' A' ' 118' ' ' LEU . 5.4 tt -63.12 -34.24 77.19 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.754 -179.227 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.708 HG21 HG23 ' A' ' 89' ' ' ILE . 62.6 mt -95.09 -44.48 13.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 113.296 0.85 . . . . 0.0 113.296 -177.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.415 ' HB2' ' O ' ' A' ' 116' ' ' LYS . 8.8 mt-30 -57.86 -42.22 84.04 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 -178.538 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 8.0 t -81.83 49.11 1.3 Allowed 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 114.593 1.331 . . . . 0.0 114.593 -175.579 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 93.4 t -125.16 -39.31 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 177.418 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 41.3 mtp180 -104.11 -23.74 13.26 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.357 177.219 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 14.7 m-20 46.87 30.26 1.18 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.654 179.724 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.87 112.93 22.23 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -178.443 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 3.0 ttp180 -141.0 18.38 2.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.966 178.148 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 60.9 92.55 0.05 OUTLIER 'General case' 0 C--O 1.23 0.06 0 CA-C-O 121.191 0.519 . . . . 0.0 112.176 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -163.96 -155.35 0.3 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.029 178.79 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.17 -84.78 0.66 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 118.507 0.594 . . . . 0.0 111.635 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 110.86 47.12 0.79 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.128 -178.643 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.2 p . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.286 -0.864 . . . . 0.0 110.849 179.737 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.1 t . . . . . 0 N--CA 1.481 1.102 0 CA-C-O 119.931 -0.08 . . . . 0.0 111.069 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -131.08 144.68 51.6 Favored 'General case' 0 C--N 1.339 0.15 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 -178.149 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -149.65 111.34 4.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.35 -1.295 . . . . 0.0 108.428 177.965 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 104.21 61.26 0.67 Allowed Glycine 0 N--CA 1.45 -0.376 0 N-CA-C 110.698 -0.961 . . . . 0.0 110.698 -177.927 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -63.26 169.49 3.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.214 0.531 . . . . 0.0 112.287 -178.617 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 40.0 mt -111.14 147.27 35.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.435 179.494 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 51.3 t -45.95 160.76 0.06 Allowed 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.012 179.887 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 28.8 p -127.84 34.48 4.62 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -179.628 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 95.9 mt -117.59 161.37 19.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.72 0.295 . . . . 0.0 110.431 177.647 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 24.7 mtp180 -120.99 106.57 11.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.122 -179.731 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -84.83 110.45 18.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.293 -0.412 . . . . 0.0 109.977 179.26 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 64.84 44.2 3.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.628 -179.172 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 67.63 5.51 37.91 Favored Glycine 0 CA--C 1.52 0.347 0 C-N-CA 120.943 -0.646 . . . . 0.0 113.013 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -117.2 125.31 50.98 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-O 121.013 0.435 . . . . 0.0 110.907 -179.496 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.6 tpp85 -42.88 157.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.949 -179.233 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 30.7 t -85.66 -71.46 0.53 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.23 179.304 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 99.42 -41.44 2.19 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.926 179.494 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 57.5 ttt85 -47.3 140.03 5.83 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.845 0.355 . . . . 0.0 110.975 179.942 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.13 160.77 0.71 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.566 -179.523 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -96.18 150.38 20.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.064 179.01 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -106.02 -104.91 2.98 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.34 -0.933 . . . . 0.0 113.644 -178.928 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -132.69 -9.27 3.17 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -178.763 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.447 ' HB2' ' HD3' ' A' ' 116' ' ' LYS . . . -77.0 159.97 29.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.116 0.484 . . . . 0.0 112.016 -178.733 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.5 p -133.11 136.56 45.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.475 179.597 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -70.72 132.34 45.23 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.048 179.315 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -137.42 -158.14 0.84 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.001 -179.686 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.32 -38.04 27.37 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 178.03 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -52.59 -50.37 63.17 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.041 0.448 . . . . 0.0 111.247 -179.364 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.688 HG23 HG21 ' A' ' 119' ' ' ILE . 30.1 mt -57.29 -39.76 69.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.123 -179.618 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -59.72 -44.86 93.56 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 178.814 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.8 tptm -56.7 -51.79 67.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.459 178.366 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.427 ' HA ' ' NE ' ' A' ' 123' ' ' ARG . 0.3 OUTLIER -52.75 -50.45 63.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.196 179.732 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 90.9 mt -57.32 -47.02 85.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.475 179.176 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 34.9 m -57.17 -41.24 78.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.265 -179.75 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -73.71 -28.39 61.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.042 0.449 . . . . 0.0 110.423 179.568 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.48 ' HE3' HG21 ' A' ' 122' ' ' VAL . 32.0 mttp -78.8 -46.11 19.47 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.73 179.322 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.446 ' HB2' ' O ' ' A' ' 96' ' ' LYS . 17.2 mmtt 72.7 84.6 0.12 Allowed 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.705 -178.049 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 27.6 m -146.66 161.12 9.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.991 -179.3 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.9 62.84 3.46 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.915 0.388 . . . . 0.0 111.34 -179.796 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 74.4 mt -133.37 113.13 18.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.269 179.13 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -144.72 156.54 44.12 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.048 0.451 . . . . 0.0 110.908 -179.928 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 18.1 tp -71.32 145.01 49.75 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.5 -179.929 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -92.72 138.19 31.71 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 177.719 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.24 -23.17 30.55 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 -178.406 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 77.9 p -62.47 -40.48 96.78 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.603 -179.563 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -54.24 -176.35 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.191 0.52 . . . . 0.0 112.078 -179.063 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.35 -64.83 0.92 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.863 -179.329 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 9.2 p80 -73.68 177.1 5.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.678 -179.237 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 44.5 mt -135.11 88.11 2.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.45 179.168 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -147.63 102.71 3.46 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.434 179.654 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 33.5 pt -79.1 169.27 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 -179.947 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 19.2 p -90.82 157.06 17.58 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.611 179.743 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.21 -38.76 54.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.04 0.448 . . . . 0.0 110.545 179.661 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -52.33 -62.28 1.74 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.549 -179.562 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 18.1 m170 -65.78 -33.16 75.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.423 -179.37 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.447 ' HD3' ' HB2' ' A' ' 83' ' ' ALA . 15.8 ttpp -57.36 -53.83 53.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.932 0.396 . . . . 0.0 110.442 179.579 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 24.6 t30 -68.18 -37.79 81.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.114 -179.704 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.499 HD23 ' O ' ' A' ' 118' ' ' LEU . 4.3 tt -60.61 -39.67 89.03 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.726 -179.087 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.688 HG21 HG23 ' A' ' 89' ' ' ILE . 50.9 mt -90.89 -35.32 7.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 113.309 0.855 . . . . 0.0 113.309 -177.867 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.402 ' HB2' ' O ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -68.7 -40.36 80.06 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 -178.606 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 35.1 t -99.14 60.59 1.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 114.728 1.381 . . . . 0.0 114.728 -175.685 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.48 HG21 ' HE3' ' A' ' 96' ' ' LYS . 79.6 t -132.84 -39.47 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 177.145 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.427 ' NE ' ' HA ' ' A' ' 92' ' ' SER . 33.7 mtm105 -107.7 17.62 22.38 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.397 177.032 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -39.23 106.74 0.06 Allowed 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.691 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.29 -27.08 15.15 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.943 -179.72 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 11.1 mtm180 -144.16 9.01 1.44 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.407 178.624 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -84.1 -17.61 39.6 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-O 120.612 0.244 . . . . 0.0 110.359 179.397 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.85 -156.81 0.31 Allowed 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 179.182 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.0 -39.15 2.12 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.978 0.418 . . . . 0.0 110.597 179.091 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 167.83 -71.56 0.16 Allowed Glycine 0 N--CA 1.45 -0.371 0 N-CA-C 111.578 -0.609 . . . . 0.0 111.578 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.19 -0.91 . . . . 0.0 110.444 179.204 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.3 p . . . . . 0 N--CA 1.487 1.393 0 N-CA-C 111.755 0.28 . . . . 0.0 111.755 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -160.45 101.03 1.35 Allowed 'General case' 0 C--O 1.231 0.127 0 CA-C-O 121.17 0.51 . . . . 0.0 111.158 179.296 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -156.54 62.16 0.54 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.935 179.278 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 167.32 64.77 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.436 -179.516 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.438 ' O ' HD23 ' A' ' 66' ' ' LEU . 21.6 mt-30 -108.25 -175.15 2.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.901 0.382 . . . . 0.0 111.248 -179.143 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.438 HD23 ' O ' ' A' ' 65' ' ' GLN . 13.1 mt -135.61 146.94 48.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.715 -179.793 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 48.0 t -45.47 140.17 3.33 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.138 179.744 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.403 ' SG ' ' HB1' ' A' ' 106' ' ' ALA . 1.3 m -107.37 25.59 11.25 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -178.786 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 94.5 mt -107.62 154.99 20.64 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 178.333 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.502 ' HG2' ' HD2' ' A' ' 75' ' ' ARG . 61.0 mtp180 -118.24 112.47 20.14 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.815 0.34 . . . . 0.0 111.386 -179.655 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -100.46 94.72 6.3 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 178.756 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 72.72 42.23 0.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.443 -179.017 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 77.24 -2.37 61.8 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.854 -0.688 . . . . 0.0 113.138 179.832 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -96.8 120.82 37.85 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 121.054 0.454 . . . . 0.0 111.325 -179.622 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.502 ' HD2' ' HG2' ' A' ' 70' ' ' ARG . 8.7 mmm180 -71.28 61.01 0.3 Allowed 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.882 -179.23 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 10.9 t 29.86 -92.55 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 179.331 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 123.34 -35.21 3.41 Favored Glycine 0 C--N 1.336 0.571 0 C-N-CA 120.403 -0.903 . . . . 0.0 113.036 -179.964 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 59.9 ttt180 -61.88 154.83 25.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.78 0.324 . . . . 0.0 110.751 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.85 149.14 50.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.798 -179.469 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.79 145.81 55.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.243 179.135 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -98.89 -119.31 4.15 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.462 -0.875 . . . . 0.0 113.813 -178.833 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -131.27 0.59 4.13 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -178.742 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -95.21 167.24 11.48 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.019 0.437 . . . . 0.0 111.658 -179.389 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.5 m -129.15 152.29 48.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.45 179.796 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -78.65 107.07 11.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.951 0.405 . . . . 0.0 109.92 179.071 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 83.0 p -115.54 -162.71 0.84 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.86 -179.214 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.63 -42.07 25.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.812 0.339 . . . . 0.0 111.62 178.965 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -52.94 -39.34 62.8 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-O 121.068 0.461 . . . . 0.0 110.399 -179.268 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.725 HG23 HG21 ' A' ' 119' ' ' ILE . 21.7 mt -71.39 -38.78 70.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.988 179.227 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -59.97 -51.08 71.18 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 178.923 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.2 tptm -59.02 -42.79 91.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.905 179.012 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.53 ' HA ' ' HG3' ' A' ' 123' ' ' ARG . 39.9 t -56.43 -46.67 80.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.155 179.367 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 94.1 mt -60.02 -47.21 92.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.859 178.906 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.429 ' O ' ' HG2' ' A' ' 97' ' ' LYS . 58.1 m -59.34 -29.38 67.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.362 -179.69 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -79.19 -39.51 33.15 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 179.329 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.49 ' HG2' HG11 ' A' ' 122' ' ' VAL . 3.5 mtpm? -70.76 -37.96 73.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.893 178.85 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.429 ' HG2' ' O ' ' A' ' 94' ' ' SER . 0.3 OUTLIER 61.11 74.09 0.46 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.751 -178.829 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 14.9 m -125.81 176.53 6.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.027 -179.361 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 24.1 mttm -86.28 46.69 1.37 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.305 -179.798 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 67.5 mt -112.06 125.06 69.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.121 179.318 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -138.67 166.99 22.93 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.394 -179.854 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 63.2 tp -102.71 137.46 40.89 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.104 0.478 . . . . 0.0 110.988 178.84 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -94.74 118.25 31.43 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 178.679 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 11.8 mmtp -67.04 -21.69 65.91 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -178.509 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 28.9 p -57.14 -35.84 69.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.776 0.322 . . . . 0.0 111.207 -179.466 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.403 ' HB1' ' SG ' ' A' ' 68' ' ' CYS . . . -58.43 174.95 0.27 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.13 0.49 . . . . 0.0 111.938 -179.239 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 2.1 ttp85 -123.1 -58.48 1.64 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.925 -179.748 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 21.4 p-80 -76.33 149.03 37.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.824 -179.168 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 72.0 mt -108.51 63.29 0.61 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.293 179.096 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -126.0 124.65 41.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.426 179.606 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 21.6 pt -107.01 158.0 7.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.077 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 11.3 p -69.71 157.6 36.98 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.693 179.681 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -61.91 -28.25 69.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.023 0.439 . . . . 0.0 110.249 179.601 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -57.76 -61.5 2.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.265 -179.928 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 20.6 m170 -66.07 -33.49 75.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.771 -179.28 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 5.1 ttpp -60.67 -54.16 48.62 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.018 0.437 . . . . 0.0 110.891 179.932 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -65.8 -36.86 84.7 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.254 -179.555 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 6.0 tt -66.11 -39.43 89.93 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.66 -179.263 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.725 HG21 HG23 ' A' ' 89' ' ' ILE . 84.9 mt -78.15 -46.86 25.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -178.345 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -59.84 -30.52 69.01 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 -178.347 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 62.4 m -89.74 28.46 1.33 Allowed 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 115.042 1.497 . . . . 0.0 115.042 -175.985 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.49 HG11 ' HG2' ' A' ' 96' ' ' LYS . 92.5 t -125.9 -31.63 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.93 178.025 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.53 ' HG3' ' HA ' ' A' ' 92' ' ' SER . 0.0 OUTLIER -87.76 -16.04 35.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.495 178.358 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -117.82 88.08 2.84 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.749 -179.768 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 32.0 mtp85 -152.39 40.55 0.6 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.997 0.427 . . . . 0.0 111.627 179.996 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.46 -29.64 4.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.138 178.266 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.41 96.68 0.06 Allowed 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.055 179.0 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -147.77 -38.43 0.19 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.014 178.768 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 58.98 -89.21 0.02 OUTLIER 'General case' 0 C--O 1.231 0.089 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.006 179.269 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 144.55 -162.5 27.97 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.957 -0.64 . . . . 0.0 111.658 -179.177 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 28.2 t . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.548 -179.788 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 52.9 p . . . . . 0 N--CA 1.483 1.186 0 N-CA-C 111.957 0.354 . . . . 0.0 111.957 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -154.72 65.11 0.66 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.492 0.663 . . . . 0.0 110.624 177.599 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -162.57 -35.33 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.724 -1.125 . . . . 0.0 110.293 179.922 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -83.4 55.97 5.04 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.267 178.65 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -123.41 161.89 23.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.748 0.309 . . . . 0.0 110.525 179.81 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 58.7 mt -112.21 159.67 18.36 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.944 0.402 . . . . 0.0 111.135 -179.892 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 42.7 t -55.18 153.37 6.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.762 179.766 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 98.7 m -116.18 23.27 12.28 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -179.345 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.419 HD11 HG21 ' A' ' 111' ' ' ILE . 75.1 mt -118.5 159.68 23.08 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 178.573 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 39.4 mtp180 -127.2 135.42 50.63 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.819 0.342 . . . . 0.0 111.091 -179.657 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 56.4 tt0 -114.28 108.08 16.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.137 179.148 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 60.82 40.41 15.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.491 -179.375 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 84.05 -7.16 72.15 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.826 -0.702 . . . . 0.0 113.121 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.02 131.99 36.27 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.002 0.43 . . . . 0.0 111.217 -179.662 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.82 61.62 5.98 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 115.839 -0.619 . . . . 0.0 112.05 -178.647 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 35.4 t 31.24 -95.81 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 115.415 -0.812 . . . . 0.0 113.114 178.921 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 122.78 -27.12 6.03 Favored Glycine 0 C--N 1.336 0.539 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.635 -179.578 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.438 ' NH2' ' HB2' ' A' ' 113' ' ' ASP . 41.9 ttt180 -69.62 137.01 51.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.759 0.314 . . . . 0.0 110.763 179.806 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.03 143.47 48.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.685 -179.469 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.03 159.3 4.32 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.955 179.063 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -124.8 -114.55 2.05 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 119.925 -1.131 . . . . 0.0 114.062 -178.782 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 20.3 t30 -126.42 15.62 7.69 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -178.156 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -111.22 150.93 28.86 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.041 0.448 . . . . 0.0 111.526 -179.586 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 24.0 p -123.06 149.96 43.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.771 179.695 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -81.29 120.72 25.28 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.962 179.444 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 61.6 p -126.34 -159.04 0.89 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.407 -178.851 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 32.8 mmtt -79.87 -42.96 23.15 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 121.158 0.504 . . . . 0.0 110.823 179.273 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.8 tmm_? -51.98 -46.04 64.69 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.155 -179.538 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.495 HG23 HG21 ' A' ' 119' ' ' ILE . 20.1 mt -64.62 -38.15 81.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.92 0.391 . . . . 0.0 110.076 179.317 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.11 -48.27 80.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.515 0.674 . . . . 0.0 109.409 178.59 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.14 -47.55 85.73 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 114.899 -1.046 . . . . 0.0 110.185 179.187 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.411 ' OG ' ' NZ ' ' A' ' 96' ' ' LYS . 1.2 t -56.12 -49.19 74.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.891 179.3 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 96.7 mt -58.97 -46.86 91.31 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.465 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.16 179.039 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 7.7 t -55.64 -37.58 68.4 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.352 -179.363 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 28.8 tp60 -72.93 -27.81 62.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.924 0.392 . . . . 0.0 110.373 179.868 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.55 ' HE3' HG21 ' A' ' 122' ' ' VAL . 38.5 mttp -86.06 -41.7 14.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.393 179.274 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 3.9 mmtp 64.77 89.79 0.09 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.833 -178.18 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 15.6 m -137.14 173.12 13.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.301 -179.165 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 6.3 mmtm -87.02 55.78 3.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.481 -179.695 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 64.9 mt -130.24 118.74 44.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.508 179.365 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.8 pm0 -138.57 158.53 44.07 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.06 0.457 . . . . 0.0 110.809 179.752 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.36 123.92 29.54 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.562 -179.572 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.406 ' OD2' ' HB3' ' A' ' 105' ' ' SER . 27.9 t70 -74.46 133.71 42.35 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 178.516 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -85.85 -11.2 53.96 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.265 0.469 . . . . 0.0 112.265 -178.46 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.406 ' HB3' ' OD2' ' A' ' 103' ' ' ASP . 29.2 t -67.76 -22.53 65.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.667 0.27 . . . . 0.0 111.237 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.96 -159.46 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.748 -179.507 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.19 -59.34 0.49 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.16 -179.897 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 108' ' ' HIS . . . . . 0.43 ' O ' HD23 ' A' ' 109' ' ' LEU . 11.0 p80 -87.34 -172.38 3.9 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.516 -179.011 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.43 HD23 ' O ' ' A' ' 108' ' ' HIS . 84.2 mt -131.95 76.28 1.69 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.811 178.961 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -137.38 110.55 7.82 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.535 -178.969 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.419 HG21 HD11 ' A' ' 69' ' ' LEU . 36.1 pt -93.36 170.07 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.998 -179.747 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 15.3 p -85.78 164.79 17.37 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.419 179.572 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.438 ' HB2' ' NH2' ' A' ' 78' ' ' ARG . 0.7 OUTLIER -63.95 -36.73 84.9 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.963 0.411 . . . . 0.0 110.42 179.528 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -50.07 -61.96 1.85 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.329 -179.886 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 10.3 m80 -62.65 -34.67 77.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.548 -179.152 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.431 ' O ' ' HB2' ' A' ' 120' ' ' GLN . 14.8 ttpp -57.65 -52.98 63.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.911 0.386 . . . . 0.0 110.2 179.54 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 31.1 t-20 -66.34 -38.1 86.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.303 -179.603 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.499 HD23 ' O ' ' A' ' 118' ' ' LEU . 6.3 tt -61.11 -42.66 98.93 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.929 -179.038 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.495 HG21 HG23 ' A' ' 89' ' ' ILE . 66.4 mt -87.17 -51.19 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 113.414 0.894 . . . . 0.0 113.414 -177.814 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.431 ' HB2' ' O ' ' A' ' 116' ' ' LYS . 0.7 OUTLIER -58.37 -41.98 85.96 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 -178.037 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 73.5 m -79.91 27.18 0.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 114.76 1.393 . . . . 0.0 114.76 -175.876 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.55 HG21 ' HE3' ' A' ' 96' ' ' LYS . 98.7 t -100.26 -23.99 4.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.294 178.3 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 1.1 mtm105 -95.4 -15.41 23.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.076 178.226 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -149.77 94.07 2.13 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.835 179.573 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 12.5 mtp180 -67.26 -172.88 0.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.927 -179.097 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 6.4 ttp180 -88.27 127.79 35.47 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.55 179.258 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 24.4 tttm -150.13 158.96 44.71 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.047 0.451 . . . . 0.0 111.103 179.801 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 10.5 mtp180 -127.97 140.78 51.79 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.151 179.61 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.14 -25.1 29.91 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.973 0.416 . . . . 0.0 110.482 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 156.44 -41.09 0.56 Allowed Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 121.006 -0.616 . . . . 0.0 112.057 -179.934 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 58.6 p . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.256 -0.878 . . . . 0.0 111.006 179.847 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 12.9 t . . . . . 0 N--CA 1.485 1.287 0 CA-C-O 121.268 0.556 . . . . 0.0 111.588 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -102.27 54.57 0.79 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.694 179.818 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -169.19 83.42 0.14 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.323 179.395 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 100.57 64.11 0.79 Allowed Glycine 0 N--CA 1.449 -0.462 0 N-CA-C 110.823 -0.911 . . . . 0.0 110.823 -178.134 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 70.9 mm-40 -54.8 179.76 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.314 0.578 . . . . 0.0 112.077 -178.982 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 65.1 mt -125.96 -179.36 4.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.478 179.747 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.488 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 51.6 t -79.28 135.84 36.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.803 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.449 ' HA ' ' NH1' ' A' ' 75' ' ' ARG . 25.8 m -96.04 19.18 12.02 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 -179.289 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.495 HD12 ' ND1' ' A' ' 115' ' ' HIS . 96.2 mt -100.22 163.66 12.3 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 178.99 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 22.8 mtp180 -130.21 112.84 13.75 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.804 0.335 . . . . 0.0 111.32 -179.618 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -94.79 89.64 5.76 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.767 179.007 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.41 ' OD2' ' HD2' ' A' ' 99' ' ' LYS . 0.6 OUTLIER 63.97 46.95 3.6 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.77 -179.119 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 86.28 -13.83 56.26 Favored Glycine 0 C--N 1.331 0.282 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.964 179.856 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -88.52 123.91 33.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.725 0.263 . . . . 0.0 110.898 -179.813 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.549 ' O ' ' N ' ' A' ' 77' ' ' GLY . 3.5 mmm180 -76.74 57.64 1.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.532 -179.496 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.488 ' HB3' ' HB3' ' A' ' 67' ' ' CYS . 2.9 t 47.27 -71.84 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 179.781 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.549 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 90.87 27.73 18.18 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.948 -0.644 . . . . 0.0 111.674 -179.343 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 59.8 ttt85 -129.71 142.82 50.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.919 0.39 . . . . 0.0 110.945 -179.607 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.07 145.76 29.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.677 -179.613 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.27 164.61 4.1 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.11 179.239 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -119.82 -122.11 2.99 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.125 -1.036 . . . . 0.0 113.992 -178.833 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -120.95 -41.57 2.54 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 -178.201 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.3 167.93 7.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.184 0.516 . . . . 0.0 111.905 -179.067 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 62.9 m -131.22 153.34 49.59 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.466 179.62 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -66.94 138.06 57.0 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 179.295 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 88.6 p -143.93 -169.59 3.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.782 0.325 . . . . 0.0 111.288 -179.243 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -78.9 -48.46 14.58 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.416 178.961 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.6 -38.09 52.94 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.538 -179.669 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.599 HG23 HG21 ' A' ' 119' ' ' ILE . 51.8 mt -68.72 -35.75 71.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 178.857 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 13.8 tm0? -64.79 -44.77 88.88 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-O 121.541 0.686 . . . . 0.0 109.476 178.502 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.72 -41.52 95.42 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 114.914 -1.039 . . . . 0.0 110.246 179.057 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.542 ' HA ' ' HD2' ' A' ' 123' ' ' ARG . 29.2 t -63.64 -44.92 92.43 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.281 178.981 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 89' ' ' ILE . 95.6 mt -56.92 -49.96 77.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 178.677 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 31.2 t -54.29 -49.63 69.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.184 -179.938 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -49.88 -31.88 13.16 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 121.229 0.538 . . . . 0.0 110.162 179.68 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.496 ' HE3' HG21 ' A' ' 122' ' ' VAL . 3.0 mmtp -90.53 -35.71 14.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.058 178.858 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 63.17 58.21 1.47 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.569 -179.114 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 17.6 m -105.22 171.18 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.357 -179.398 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.41 ' HD2' ' OD2' ' A' ' 72' ' ' ASP . 43.6 mttm -84.83 50.05 1.84 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.423 -179.796 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 60.8 mt -128.72 110.11 20.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.916 179.312 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -145.99 151.37 37.67 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.365 179.815 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 50.3 tp -61.65 141.45 57.81 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.203 0.525 . . . . 0.0 111.69 -179.562 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -92.59 141.59 28.32 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.358 -0.978 . . . . 0.0 108.358 178.153 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -83.81 -12.37 55.73 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -178.967 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.7 p -72.46 -16.54 61.81 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 121.03 -0.268 . . . . 0.0 111.085 179.755 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -82.51 175.24 10.36 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 121.053 0.454 . . . . 0.0 111.765 -179.528 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 29.6 mtt180 -124.62 -68.16 0.87 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.088 -179.457 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 24.6 p80 -63.15 -173.3 0.05 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.003 -179.716 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 49.6 mt -144.59 80.01 1.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.189 0.519 . . . . 0.0 110.345 179.129 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -142.62 102.99 4.16 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.875 -179.6 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 36.6 pt -83.92 170.12 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.97 -179.892 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 11.8 p -80.26 172.27 13.99 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.396 179.606 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -73.4 -36.84 66.07 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.062 0.458 . . . . 0.0 110.384 179.52 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 78.1 t80 -52.82 -57.5 9.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.452 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 115' ' ' HIS . . . . . 0.495 ' ND1' HD12 ' A' ' 69' ' ' LEU . 16.3 m170 -66.84 -38.29 86.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.647 -179.399 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.24 -50.67 68.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.045 0.45 . . . . 0.0 110.538 179.613 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -70.1 -39.87 75.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.832 -179.753 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 8.2 tt -61.19 -38.36 86.27 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.952 -0.567 . . . . 0.0 112.044 -178.972 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.599 HG21 HG23 ' A' ' 89' ' ' ILE . 72.3 mt -90.7 -45.54 14.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 113.218 0.821 . . . . 0.0 113.218 -177.999 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -50.68 -43.75 57.56 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 -178.471 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.59 36.71 0.32 Allowed 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 114.865 1.432 . . . . 0.0 114.865 -175.594 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.496 HG21 ' HE3' ' A' ' 96' ' ' LYS . 98.2 t -117.93 -35.12 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 177.794 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.542 ' HD2' ' HA ' ' A' ' 92' ' ' SER . 76.0 mtp180 -108.63 60.39 0.6 Allowed 'General case' 0 C--O 1.231 0.125 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.461 177.206 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 18.0 t30 -156.55 84.35 0.97 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.665 179.64 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 15.7 mmm-85 -119.25 97.52 5.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.08 -0.509 . . . . 0.0 112.033 -178.64 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 11.0 ttp-105 -139.92 42.47 1.96 Allowed 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 178.574 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.459 ' HA ' ' HA ' ' A' ' 131' ' ' SER . 2.9 tppp? -89.44 123.97 34.06 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.857 -179.273 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.68 -67.55 0.72 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.26 178.425 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt -106.77 -14.83 14.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.158 178.946 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 168.22 56.37 0.03 OUTLIER Glycine 0 C--N 1.336 0.529 0 C-N-CA 121.064 -0.588 . . . . 0.0 112.141 179.934 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 131' ' ' SER . . . . . 0.459 ' HA ' ' HA ' ' A' ' 127' ' ' LYS . 6.6 t . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.768 179.875 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.7 t . . . . . 0 N--CA 1.479 1.014 0 CA-C-O 121.122 0.487 . . . . 0.0 111.489 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -102.46 -27.16 12.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.371 -178.01 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -129.15 70.1 1.41 Allowed 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 178.758 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 143.54 58.93 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.406 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.131 -178.907 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -62.83 -175.68 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.298 0.571 . . . . 0.0 111.721 -179.177 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 87.9 mt -114.15 151.44 32.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.428 179.552 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.43 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 46.5 t -56.51 139.32 49.82 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.803 179.728 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 2.0 m -102.92 27.21 7.27 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 112.219 0.452 . . . . 0.0 112.219 -179.304 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 94.5 mt -113.68 163.06 15.48 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 178.183 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.44 ' HA ' ' O ' ' A' ' 74' ' ' GLU . 31.4 mtp180 -128.66 108.78 10.77 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.886 -0.326 . . . . 0.0 111.433 -179.751 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -99.24 106.43 18.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.057 179.183 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 66.47 42.04 3.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.846 -179.161 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 78.52 -6.65 51.94 Favored Glycine 0 CA--C 1.52 0.346 0 C-N-CA 120.956 -0.64 . . . . 0.0 113.412 179.624 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.44 ' O ' ' HA ' ' A' ' 70' ' ' ARG . 5.5 mm-40 -96.05 135.29 38.02 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 117.095 0.448 . . . . 0.0 111.022 -179.628 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.545 ' O ' ' N ' ' A' ' 77' ' ' GLY . 15.5 mmm-85 -82.39 54.84 2.71 Favored 'General case' 0 C--O 1.225 -0.207 0 C-N-CA 120.841 -0.344 . . . . 0.0 111.405 -179.339 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.43 ' HB3' ' HB3' ' A' ' 67' ' ' CYS . 0.5 OUTLIER 49.03 -64.23 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 179.539 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.545 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 90.87 -13.68 65.32 Favored Glycine 0 N--CA 1.449 -0.466 0 N-CA-C 111.336 -0.706 . . . . 0.0 111.336 -178.388 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 20.5 ttt180 -84.71 163.19 19.34 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 120.72 0.295 . . . . 0.0 110.361 179.769 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -83.2 152.12 25.36 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.595 -179.437 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.81 153.59 41.84 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.004 178.939 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -114.99 -131.38 5.04 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.203 -0.999 . . . . 0.0 114.109 -178.547 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -104.32 -29.26 10.88 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -178.177 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.495 ' HB2' ' CD ' ' A' ' 116' ' ' LYS . . . -62.95 172.85 1.56 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.098 0.475 . . . . 0.0 111.747 -179.395 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.7 m -146.22 138.67 25.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.859 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -59.55 126.5 27.88 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 178.924 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 86.6 p -130.76 -171.73 2.64 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.075 0.464 . . . . 0.0 111.526 -179.161 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 46.4 mttp -77.69 -46.82 20.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.964 178.991 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.9 -34.45 54.94 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.118 179.279 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.915 HG23 HG21 ' A' ' 119' ' ' ILE . 19.2 mt -71.59 -45.32 68.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 178.955 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -55.64 -47.73 76.14 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 178.093 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 15.4 mmtm -60.35 -47.29 86.7 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 114.316 -1.311 . . . . 0.0 110.073 178.398 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 13.9 t -54.29 -39.66 67.16 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.487 179.738 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 74.9 mt -76.21 -35.98 29.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.098 179.202 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 26.0 t -54.41 -44.22 72.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.212 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 35.9 tp60 -71.17 -6.76 41.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.074 179.655 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.2 mmmm -106.76 -56.57 2.18 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 121.031 0.443 . . . . 0.0 110.49 179.223 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 75.53 71.52 0.09 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.576 -178.9 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 18.1 m -118.37 174.28 4.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.523 -179.123 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -77.75 61.14 2.37 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.155 -179.628 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 82.6 mt -138.93 106.88 3.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.231 179.269 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -132.62 144.36 50.3 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.647 -179.919 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.2 tp -68.59 134.3 49.77 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.728 -179.534 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -74.02 134.32 43.02 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 177.881 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 24.3 mtmm -86.38 -29.88 22.58 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.984 -0.286 . . . . 0.0 111.674 -178.827 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 14.5 p -71.07 -6.8 41.88 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.642 179.769 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -65.47 176.41 1.45 Allowed 'General case' 0 C--O 1.23 0.077 0 CA-C-O 121.162 0.505 . . . . 0.0 111.841 -179.541 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -127.44 -40.0 1.82 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.286 179.951 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 9.1 p80 -105.99 161.46 14.45 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.98 -0.555 . . . . 0.0 112.154 -178.237 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 73.9 mt -118.54 70.28 0.81 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.294 179.241 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -139.94 106.45 5.32 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.373 -179.703 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 25.6 pt -83.27 179.21 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.826 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 7.7 p -92.44 174.18 7.41 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.247 179.407 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -69.61 -32.43 71.15 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.105 0.479 . . . . 0.0 110.421 179.739 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -55.23 -62.2 1.82 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.68 -179.641 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 24.5 m80 -64.76 -34.87 79.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.452 -179.321 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.495 ' CD ' ' HB2' ' A' ' 83' ' ' ALA . 10.8 ttpp -57.7 -52.93 63.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.918 0.39 . . . . 0.0 110.375 179.78 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -68.74 -35.92 77.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.294 -179.439 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.443 HD23 ' O ' ' A' ' 118' ' ' LEU . 3.3 tt -65.87 -40.94 92.12 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.695 -179.172 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.915 HG21 HG23 ' A' ' 89' ' ' ILE . 73.7 mt -85.57 -40.62 14.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 -177.966 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.414 ' HB2' ' O ' ' A' ' 116' ' ' LYS . 5.3 mt-30 -62.27 -37.59 86.07 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -178.601 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.453 ' HA ' ' O ' ' A' ' 124' ' ' ASN . 69.5 m -73.92 16.82 0.2 Allowed 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 115.21 1.559 . . . . 0.0 115.21 -176.035 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 92.5 t -99.39 -23.5 4.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 118.456 0.571 . . . . 0.0 110.55 178.699 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 5.3 mtp180 -121.8 -4.07 9.18 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.149 178.151 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 124' ' ' ASN . . . . . 0.453 ' O ' ' HA ' ' A' ' 121' ' ' SER . 0.3 OUTLIER -143.19 122.96 13.38 Favored 'General case' 0 C--O 1.227 -0.127 0 N-CA-C 110.526 -0.175 . . . . 0.0 110.526 179.98 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 22.1 mtp-105 -139.69 133.57 30.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.187 0.517 . . . . 0.0 112.013 -179.748 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -144.36 -76.48 0.23 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.941 179.364 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.56 125.24 40.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.951 179.637 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.88 -85.34 0.64 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.852 178.856 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 8.0 mtmm -124.5 -40.63 2.21 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.01 178.912 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -174.2 118.02 0.66 Allowed Glycine 0 N--CA 1.451 -0.335 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.994 179.473 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 33.0 m . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.255 -0.879 . . . . 0.0 111.032 -179.821 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.477 0.909 0 CA-C-O 119.811 -0.138 . . . . 0.0 111.257 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.499 ' HA ' ' NE2' ' A' ' 65' ' ' GLN . 5.2 m-80 -98.81 20.61 12.79 Favored 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 120.085 -0.646 . . . . 0.0 111.616 179.268 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -128.18 141.0 51.6 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 177.791 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 61.4 65.07 3.49 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 119.643 -1.265 . . . . 0.0 110.559 -178.036 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.499 ' NE2' ' HA ' ' A' ' 62' ' ' ASN . 17.4 mm-40 -90.64 179.62 5.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.183 0.516 . . . . 0.0 112.02 -178.553 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 70.3 mt -107.64 163.2 13.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.474 179.277 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.486 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 48.5 t -61.67 145.34 52.59 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.96 179.836 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 34.0 m -106.63 29.2 7.14 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -179.334 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 84.1 mt -119.55 170.94 8.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.746 0.308 . . . . 0.0 110.27 178.428 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.466 ' HG2' ' HD2' ' A' ' 75' ' ' ARG . 12.0 mtp180 -135.8 111.54 9.38 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.218 -179.764 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 54.8 tt0 -91.89 107.73 19.42 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 178.988 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 60.49 21.17 10.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.685 -179.197 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 106.21 -14.75 43.77 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.706 -0.759 . . . . 0.0 113.294 179.503 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -88.1 137.89 31.93 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.267 0.555 . . . . 0.0 111.947 -179.363 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.498 ' O ' ' N ' ' A' ' 77' ' ' GLY . 43.6 mmm-85 -80.38 61.75 4.26 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.195 -0.911 . . . . 0.0 111.952 -178.9 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.486 ' HB3' ' HB3' ' A' ' 67' ' ' CYS . 2.8 t 34.9 -82.96 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 178.763 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 115.81 -14.97 16.89 Favored Glycine 0 C--N 1.336 0.542 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.494 -179.156 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -88.43 159.2 18.11 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.718 0.294 . . . . 0.0 110.64 179.924 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.3 153.84 42.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.977 0.418 . . . . 0.0 111.923 -179.605 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -85.92 137.26 32.86 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.043 179.001 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -104.55 -153.63 22.6 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.482 -0.866 . . . . 0.0 113.956 -178.64 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -78.93 -4.6 50.64 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -178.966 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.414 ' HB2' ' HD3' ' A' ' 116' ' ' LYS . . . -81.03 151.11 28.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.973 0.416 . . . . 0.0 111.639 -179.448 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.6 m -127.11 151.49 48.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.521 179.675 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -78.35 141.67 38.25 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 178.989 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 16.1 p -149.28 -174.87 4.78 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.036 0.446 . . . . 0.0 111.857 -178.967 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.5 mmtm -71.07 -42.4 69.46 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.27 179.555 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -54.67 -45.35 73.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.179 179.181 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.41 ' O ' HG13 ' A' ' 93' ' ' ILE . 44.7 mt -64.67 -37.61 80.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.925 179.225 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 10.5 tm0? -60.62 -51.69 68.32 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-O 121.735 0.779 . . . . 0.0 109.065 178.353 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.1 mmpp? -58.39 -43.98 88.74 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 114.417 -1.265 . . . . 0.0 109.981 178.705 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 43.9 t -58.89 -39.72 82.31 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.439 179.378 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.41 HG13 ' O ' ' A' ' 89' ' ' ILE . 61.6 mt -73.13 -36.57 50.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.077 0.465 . . . . 0.0 110.153 179.197 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 36.5 t -57.44 -43.31 83.81 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.975 179.941 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 -58.64 -44.38 90.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.993 0.425 . . . . 0.0 110.07 179.566 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.471 ' HE3' HG21 ' A' ' 122' ' ' VAL . 43.6 mttp -70.19 -34.74 73.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.119 179.077 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 46.2 tptt 59.57 56.74 3.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.338 -178.764 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 31.5 m -105.53 174.55 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.592 -179.212 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -87.02 62.65 7.5 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.358 -179.699 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 77.2 mt -137.15 115.34 14.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.279 179.308 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -137.1 162.94 32.02 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.765 -179.872 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 19.5 tp -81.13 143.24 32.54 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.308 0.575 . . . . 0.0 111.492 -179.896 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -95.84 139.0 32.69 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 177.294 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -89.34 -3.24 58.55 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -178.726 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 59.5 p -76.62 -35.1 58.27 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.805 0.336 . . . . 0.0 111.24 -179.759 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -48.05 150.57 1.14 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.048 0.452 . . . . 0.0 111.875 -179.271 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -92.58 -23.3 19.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.053 179.711 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 13.0 p80 -130.17 -171.53 2.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.146 -179.288 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 85.9 mt -131.67 88.63 2.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.519 179.191 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -147.25 127.47 13.84 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.419 179.617 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 38.0 pt -105.91 170.73 2.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.86 179.914 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 23.0 p -86.93 168.56 13.27 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.511 179.61 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -69.28 -29.48 67.37 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.078 0.466 . . . . 0.0 110.364 179.592 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -55.53 -61.6 2.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.399 -179.941 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 22.8 m80 -63.88 -40.01 95.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.698 -179.418 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.414 ' HD3' ' HB2' ' A' ' 83' ' ' ALA . 18.2 ttpp -52.31 -53.71 40.84 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.038 0.447 . . . . 0.0 110.7 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -63.75 -42.95 97.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.979 -179.833 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.654 ' O ' HG23 ' A' ' 122' ' ' VAL . 3.7 tt -58.86 -42.5 89.55 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.726 -179.401 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 61.6 mt -82.81 -48.55 17.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 113.256 0.836 . . . . 0.0 113.256 -178.036 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -67.71 -33.87 75.75 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 -178.012 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 61.0 m -96.9 36.22 1.44 Allowed 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 115.106 1.521 . . . . 0.0 115.106 -176.252 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 118' ' ' LEU . 77.0 t -115.08 -22.8 4.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 C-N-CA 120.46 -0.496 . . . . 0.0 110.412 177.583 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 31.2 mtp180 -105.86 50.31 0.78 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.103 0.478 . . . . 0.0 109.915 178.379 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 19.6 t30 -155.96 121.65 4.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.952 179.944 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.432 ' CZ ' ' HB2' ' A' ' 125' ' ' ARG . 0.1 OUTLIER -172.17 -157.24 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.807 -178.348 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 -106.73 -24.25 12.16 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-O 120.749 0.309 . . . . 0.0 110.555 178.332 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 23.0 ttpp -85.87 165.5 16.76 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.224 0.535 . . . . 0.0 111.48 -179.447 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.23 -155.55 0.6 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.165 179.811 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 25.3 mtmt -118.42 -61.51 1.66 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.006 0.431 . . . . 0.0 110.733 178.587 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 176.27 144.04 4.98 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 121.011 -0.614 . . . . 0.0 111.977 -179.928 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 42.8 m . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.149 -0.929 . . . . 0.0 110.997 -179.991 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.2 t . . . . . 0 N--CA 1.481 1.078 0 CA-C-O 119.847 -0.121 . . . . 0.0 111.275 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 45.53 33.18 1.29 Allowed 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.231 0.539 . . . . 0.0 110.251 -178.586 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -100.87 21.99 12.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.282 178.997 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -107.6 54.36 0.57 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.004 -179.944 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -85.29 -175.19 5.6 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.919 0.39 . . . . 0.0 110.767 -179.941 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -114.53 166.12 12.04 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.596 179.462 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 49.4 t -55.75 138.05 48.53 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.34 -0.846 . . . . 0.0 111.431 -179.7 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 22.4 p -102.1 24.61 9.86 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.938 0.399 . . . . 0.0 111.144 179.846 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 32.3 mt -126.08 159.7 32.1 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 179.326 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.466 ' HG2' ' HD3' ' A' ' 75' ' ' ARG . 8.2 mtp-105 -130.44 109.47 10.74 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.163 -179.779 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -90.49 120.13 31.33 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 179.07 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 57.57 32.67 22.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.51 -179.074 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 84.24 -2.76 87.44 Favored Glycine 0 CA--C 1.52 0.345 0 C-N-CA 120.99 -0.624 . . . . 0.0 113.292 179.516 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -99.79 135.29 41.44 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 117.131 0.465 . . . . 0.0 111.207 -179.806 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.495 ' O ' ' N ' ' A' ' 77' ' ' GLY . 1.7 tpp85 -74.72 58.02 0.79 Allowed 'General case' 0 N--CA 1.462 0.13 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.71 -179.197 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 7.4 t 46.54 -79.39 0.0 OUTLIER 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 179.571 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 117.85 -28.02 7.22 Favored Glycine 0 C--N 1.331 0.301 0 C-N-CA 120.954 -0.641 . . . . 0.0 111.525 -179.068 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 27.6 ttt180 -86.4 132.48 33.94 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 179.149 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.27 164.5 0.45 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.934 0.397 . . . . 0.0 111.708 -178.833 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.4 165.18 25.07 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.507 -179.682 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -129.76 -149.82 6.84 Favored Glycine 0 C--N 1.334 0.454 0 C-N-CA 120.481 -0.866 . . . . 0.0 113.681 -179.244 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -83.56 -40.81 18.64 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -178.686 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -55.13 161.87 1.58 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.1 0.476 . . . . 0.0 111.661 -179.245 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -127.53 171.22 11.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.236 179.608 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -95.11 108.33 20.43 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 178.845 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 38.4 p -112.38 -170.14 1.61 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.688 -178.594 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.4 -45.87 24.51 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.433 179.744 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.78 -45.0 66.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.248 179.392 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.477 HG23 HG21 ' A' ' 119' ' ' ILE . 76.8 mt -62.86 -34.5 66.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 179.105 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -68.45 -52.33 33.77 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-O 121.613 0.72 . . . . 0.0 109.376 178.74 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.33 -41.77 63.27 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 114.758 -1.11 . . . . 0.0 110.083 179.135 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.419 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 36.6 m -61.6 -52.57 63.84 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 178.746 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 97.3 mt -53.33 -35.39 24.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.11 179.053 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 50.8 m -69.3 -35.87 76.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.135 -179.722 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 43.7 tp60 -77.51 -46.12 23.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.227 179.416 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.729 ' HE2' HG21 ' A' ' 122' ' ' VAL . 3.4 mtpm? -63.15 -37.99 89.41 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 121.209 0.528 . . . . 0.0 109.643 178.723 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? 66.73 80.2 0.22 Allowed 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.674 -179.187 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 27.0 m -134.34 157.23 41.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.147 -179.089 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.3 mmmm -76.94 58.13 1.44 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.208 -179.807 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 53.8 mt -131.29 108.95 15.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.139 179.428 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -130.53 168.69 16.64 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.659 -179.833 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 36.7 tp -82.14 132.04 35.24 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.199 0.523 . . . . 0.0 110.852 179.544 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 59.6 t0 -91.52 126.15 36.51 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 179.487 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 46.3 mttp -74.85 -17.37 60.61 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -178.588 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.15 -28.22 66.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.923 0.392 . . . . 0.0 110.487 179.653 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -68.23 139.98 56.04 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.521 -179.625 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -101.89 39.68 1.43 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.588 -179.945 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 26.4 p80 -177.91 -179.21 0.74 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.638 -179.574 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 91.4 mt -129.45 92.34 3.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.341 179.301 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -153.05 126.38 8.63 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.534 179.762 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 41.6 pt -108.7 164.5 5.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.765 179.847 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 8.3 p -80.55 166.43 21.16 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.523 179.528 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -68.39 -34.12 75.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.092 0.473 . . . . 0.0 110.378 179.929 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -52.73 -54.9 27.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.314 179.921 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 14.1 m170 -69.07 -37.28 78.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.727 -179.44 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 5.9 ttpp -55.21 -51.25 67.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.046 0.45 . . . . 0.0 110.552 179.592 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -71.81 -34.1 69.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.188 -179.751 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.548 HD23 ' O ' ' A' ' 118' ' ' LEU . 6.7 tt -68.04 -31.06 70.46 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.606 -179.301 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.477 HG21 HG23 ' A' ' 89' ' ' ILE . 77.9 mt -93.57 -45.79 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 -178.019 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -67.21 -41.22 86.17 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 -178.072 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 12.8 m -78.6 16.36 0.85 Allowed 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 114.923 1.453 . . . . 0.0 114.923 -175.462 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.729 HG21 ' HE2' ' A' ' 96' ' ' LYS . 79.6 t -94.59 -25.57 4.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 C-N-CA 120.364 -0.534 . . . . 0.0 109.974 178.155 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 30.2 mtp180 -120.62 20.65 11.73 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.348 177.463 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -169.78 74.71 0.08 Allowed 'General case' 0 C--O 1.231 0.099 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.399 -179.816 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 8.8 mtm-85 -78.26 -26.14 47.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.842 0.353 . . . . 0.0 111.141 -179.616 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -147.43 -170.84 3.66 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.105 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 63.25 87.24 0.11 Allowed 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 178.544 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 3.0 ttm-85 -138.61 -35.55 0.59 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.107 177.811 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 8.1 mtmm 63.74 -98.63 0.07 Allowed 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.592 178.858 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 153.46 -61.79 0.38 Allowed Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 -178.481 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.9 m . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.29 -0.862 . . . . 0.0 110.431 179.017 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.482 1.133 0 CA-C-O 120.926 0.393 . . . . 0.0 111.631 . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -129.1 90.73 3.07 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.057 178.176 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -152.05 18.2 0.67 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.01 179.363 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -105.82 36.66 4.25 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.747 -0.74 . . . . 0.0 111.893 -179.845 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -75.67 174.82 9.27 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.885 0.374 . . . . 0.0 110.989 -179.634 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 45.5 mt -107.05 149.82 27.17 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.828 -179.842 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.448 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 12.9 t -48.05 127.23 12.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.691 179.595 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 35.9 m -90.7 32.42 0.98 Allowed 'General case' 0 N--CA 1.462 0.142 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -178.9 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 82.6 mt -112.65 163.11 14.93 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 178.349 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.409 ' HG2' ' HD3' ' A' ' 75' ' ' ARG . 29.3 mtp180 -130.9 143.83 51.02 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.8 0.333 . . . . 0.0 111.033 -179.702 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -125.33 109.32 12.64 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.34 179.26 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 58.73 43.38 18.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.51 -179.524 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 74.65 0.19 58.17 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.862 -0.685 . . . . 0.0 113.036 -179.852 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -113.01 127.1 56.14 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 121.008 0.432 . . . . 0.0 111.218 -179.752 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.409 ' HD3' ' HG2' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -55.69 159.23 3.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.801 -179.28 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.448 ' HB3' ' HB3' ' A' ' 67' ' ' CYS . 25.9 t -70.89 -54.57 10.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.078 179.098 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 92.43 -32.06 5.72 Favored Glycine 0 C--N 1.33 0.247 0 C-N-CA 120.791 -0.718 . . . . 0.0 113.103 179.23 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.446 ' HD3' ' HB2' ' A' ' 112' ' ' CYS . 34.3 ttt-85 -68.33 144.26 54.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.842 0.353 . . . . 0.0 110.621 -179.812 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.407 ' O ' ' HB3' ' A' ' 112' ' ' CYS . . . -56.84 155.83 7.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.647 -179.568 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.94 152.59 40.07 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.196 179.281 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -108.61 -147.44 12.58 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.427 -0.892 . . . . 0.0 113.773 -178.881 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -105.88 7.1 32.06 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -178.892 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -97.83 178.58 5.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.097 0.475 . . . . 0.0 111.423 -179.537 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.8 p -138.22 159.59 41.64 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.653 179.891 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.52 ' CD2' HD13 ' A' ' 102' ' ' LEU . 76.7 t80 -95.33 123.63 38.95 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.343 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 88.6 p -128.05 -158.86 0.9 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.509 -178.603 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.0 -41.61 25.49 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.422 0.629 . . . . 0.0 110.614 179.361 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.1 ttm-85 -52.32 -49.72 63.68 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.51 -179.109 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.779 HG23 HG21 ' A' ' 119' ' ' ILE . 95.3 mt -63.92 -35.9 74.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.67 179.913 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 14.2 tm0? -63.7 -44.86 92.42 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 178.821 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -62.05 -52.54 63.51 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.785 178.688 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.41 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 8.4 t -52.1 -43.42 63.91 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.024 179.533 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.465 HG23 ' CG2' ' A' ' 98' ' ' VAL . 70.6 mt -60.98 -49.29 85.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.208 179.0 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.7 t -54.97 -48.07 73.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.179 -179.491 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.442 ' HG3' ' NH1' ' A' ' 123' ' ' ARG . 0.0 OUTLIER -64.96 -37.9 89.19 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.033 0.444 . . . . 0.0 109.928 179.635 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.588 ' HZ3' HG11 ' A' ' 122' ' ' VAL . 13.9 mtpp -68.96 -28.58 66.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.012 178.668 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.59 76.53 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.822 -179.161 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.465 ' CG2' HG23 ' A' ' 93' ' ' ILE . 29.0 m -135.53 162.82 36.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.1 -179.451 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 32.4 mttp -90.28 71.27 7.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.567 -179.587 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.409 ' HA ' ' O ' ' A' ' 70' ' ' ARG . 34.3 mt -138.07 98.84 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.02 0.438 . . . . 0.0 110.311 178.989 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -109.11 160.99 15.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.693 -179.915 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.52 HD13 ' CD2' ' A' ' 85' ' ' PHE . 1.3 tp -78.16 133.11 37.85 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.134 0.492 . . . . 0.0 111.607 -179.786 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -67.84 133.47 49.24 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 177.527 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 9.8 mtmt -101.8 -10.11 20.2 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -178.586 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.7 t -92.82 20.92 6.04 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.699 0.285 . . . . 0.0 110.643 179.586 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -106.93 -169.28 1.52 Allowed 'General case' 0 C--O 1.231 0.106 0 CA-C-O 120.949 0.404 . . . . 0.0 111.578 -179.426 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 15.7 mtp85 -126.53 -70.41 0.73 Allowed 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.238 -179.61 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 29.1 p80 -75.14 -172.01 1.56 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.44 -179.005 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 62.2 mt -138.6 81.18 1.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.863 179.134 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -138.45 115.57 10.97 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.858 -179.548 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 32.9 pt -99.25 166.1 2.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.028 -179.701 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 112' ' ' CYS . . . . . 0.446 ' HB2' ' HD3' ' A' ' 78' ' ' ARG . 9.5 p -73.32 164.62 26.42 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.765 179.755 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.46 ' OD1' ' N ' ' A' ' 113' ' ' ASP . 0.4 OUTLIER -65.93 -39.52 90.6 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.279 0.561 . . . . 0.0 110.028 179.735 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -50.0 -56.35 11.04 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.171 -0.922 . . . . 0.0 111.449 -179.899 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 5.8 m170 -69.68 -29.17 66.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.679 -179.364 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.446 ' O ' ' HB2' ' A' ' 120' ' ' GLN . 13.0 ttpp -62.95 -54.55 36.64 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.462 179.78 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -68.53 -42.71 78.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.996 -179.6 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.728 ' O ' HG23 ' A' ' 122' ' ' VAL . 5.4 tt -58.75 -47.8 83.42 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.171 -179.0 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.779 HG21 HG23 ' A' ' 89' ' ' ILE . 79.1 mt -80.16 -39.73 19.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 113.55 0.945 . . . . 0.0 113.55 -177.8 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.446 ' HB2' ' O ' ' A' ' 116' ' ' LYS . 39.7 mt-30 -70.33 -40.83 73.92 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 -178.349 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 2.7 t -100.23 46.94 0.94 Allowed 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 115.013 1.486 . . . . 0.0 115.013 -174.856 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 118' ' ' LEU . 55.0 t -112.47 -25.5 3.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.792 -0.448 . . . . 0.0 109.792 177.007 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.442 ' NH1' ' HG3' ' A' ' 95' ' ' GLN . 7.9 mtm180 -112.93 -20.88 11.4 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.13 178.283 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 124' ' ' ASN . . . . . 0.457 ' ND2' ' HD2' ' A' ' 127' ' ' LYS . 61.5 t30 60.11 87.94 0.08 Allowed 'General case' 0 N--CA 1.456 -0.136 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.279 179.848 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 2.5 mtt-85 -122.41 41.49 3.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 112.003 -178.918 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.72 -46.94 0.74 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.509 178.588 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.457 ' HD2' ' ND2' ' A' ' 124' ' ' ASN . 0.2 OUTLIER 47.25 -171.56 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.472 178.942 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 9.8 tpp180 -119.12 79.28 1.38 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.205 177.872 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -82.37 -66.29 0.91 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.093 -179.032 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 177.76 122.17 0.73 Allowed Glycine 0 N--CA 1.445 -0.761 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.769 -179.878 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.282 -0.866 . . . . 0.0 110.57 -179.893 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 64.4 m . . . . . 0 N--CA 1.479 1.016 0 N-CA-C 111.609 0.226 . . . . 0.0 111.609 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 49.5 t30 52.46 25.75 3.76 Favored 'General case' 0 C--N 1.34 0.179 0 CA-C-N 118.44 0.564 . . . . 0.0 109.942 -176.812 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -146.68 1.15 0.79 Allowed 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.325 178.442 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -96.22 66.52 1.06 Allowed Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.828 -0.701 . . . . 0.0 111.685 -179.693 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.807 ' O ' HD12 ' A' ' 66' ' ' LEU . 3.0 mp0 -83.51 -174.77 5.48 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.841 0.353 . . . . 0.0 110.504 -179.906 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.807 HD12 ' O ' ' A' ' 65' ' ' GLN . 1.7 mp -139.01 138.58 37.36 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.305 0.574 . . . . 0.0 112.018 179.66 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 38.4 t -43.77 146.36 0.57 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 114.962 -1.017 . . . . 0.0 111.408 -179.821 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 17.7 p -106.84 20.52 18.91 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.384 179.887 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 94.6 mt -106.09 163.19 12.97 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 178.824 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 54.0 mtt-85 -127.9 120.16 27.11 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.249 -179.55 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 64.0 tt0 -103.49 117.59 34.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.087 178.958 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 55.46 38.15 29.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.774 -179.413 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 79.84 -6.97 57.3 Favored Glycine 0 CA--C 1.52 0.352 0 C-N-CA 120.866 -0.683 . . . . 0.0 113.217 179.671 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.401 ' O ' ' N ' ' A' ' 76' ' ' CYS . 70.5 mm-40 -93.72 127.16 39.29 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 117.088 0.444 . . . . 0.0 111.093 -179.71 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.9 tpp85 -65.61 64.89 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.8 -0.636 . . . . 0.0 112.451 -178.791 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.401 ' N ' ' O ' ' A' ' 74' ' ' GLU . 10.5 t 36.66 -92.31 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 178.61 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 121.02 -33.93 4.21 Favored Glycine 0 C--N 1.334 0.441 0 C-N-CA 120.39 -0.91 . . . . 0.0 112.539 -179.552 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 46.7 ttt180 -73.92 152.11 40.23 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 179.269 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.01 160.11 32.6 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.927 0.394 . . . . 0.0 111.648 -178.78 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.27 166.32 21.82 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.606 -179.559 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -122.71 -125.9 3.12 Favored Glycine 0 CA--C 1.52 0.368 0 C-N-CA 120.484 -0.865 . . . . 0.0 113.696 -179.099 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -117.09 -4.96 11.42 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 112.68 0.622 . . . . 0.0 112.68 -178.295 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -94.62 168.2 10.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.101 0.477 . . . . 0.0 111.774 -179.395 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -131.65 170.53 14.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.26 179.667 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -90.54 133.93 34.73 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 179.222 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 60.2 p -137.92 -163.74 1.5 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.985 0.421 . . . . 0.0 111.175 -179.196 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.6 mmtm -80.25 -49.24 11.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.758 178.617 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -51.54 -41.67 61.23 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.789 -179.337 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.42 ' O ' HG13 ' A' ' 93' ' ' ILE . 55.4 mt -65.87 -44.31 92.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.151 179.436 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 16.4 tm0? -55.54 -51.45 67.02 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.076 0.465 . . . . 0.0 109.968 179.052 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.3 tmtp? -62.81 -42.5 99.74 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.693 179.325 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.404 ' OG ' ' NZ ' ' A' ' 96' ' ' LYS . 29.1 t -57.59 -32.67 67.41 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.053 178.854 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 89' ' ' ILE . 96.7 mt -75.64 -46.53 36.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.945 179.014 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.429 ' O ' ' HG3' ' A' ' 97' ' ' LYS . 25.8 t -54.07 -46.48 71.99 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.183 -179.89 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 37.1 tp60 -63.82 -28.06 69.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.977 0.418 . . . . 0.0 110.058 179.678 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.445 ' HE3' HG21 ' A' ' 122' ' ' VAL . 35.3 mttp -80.25 -43.39 21.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.34 179.059 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.429 ' HG3' ' O ' ' A' ' 94' ' ' SER . 8.6 mttp 71.21 85.11 0.13 Allowed 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.53 -178.568 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 22.0 m -142.03 159.52 20.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.093 -179.259 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 51.7 mttm -79.95 55.12 2.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.438 -179.617 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 73.3 mt -119.12 103.36 14.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.198 -0.455 . . . . 0.0 109.893 179.354 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -118.82 163.78 16.38 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.842 -179.835 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 19.7 tp -92.01 136.53 33.09 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.077 -179.886 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 58.6 t0 -87.22 121.78 30.12 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 179.204 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 3.5 mtmm -82.27 -11.54 58.58 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -178.641 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.3 m -84.0 4.86 27.99 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.65 0.262 . . . . 0.0 110.848 178.917 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -69.27 178.38 2.39 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-O 121.354 0.597 . . . . 0.0 112.086 -179.042 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -122.0 -5.89 8.99 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.113 -0.949 . . . . 0.0 111.289 -179.788 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 20.3 p80 -154.55 -172.19 4.11 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 120.714 0.292 . . . . 0.0 110.296 -179.707 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 109' ' ' LEU . 35.5 mt -135.84 80.47 1.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.266 0.555 . . . . 0.0 109.907 178.787 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -137.8 133.25 33.79 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.545 -179.154 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 32.2 pt -115.97 141.84 31.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.081 -179.686 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 5.8 p -61.64 152.46 30.69 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.433 179.522 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -56.08 -29.93 61.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.077 0.465 . . . . 0.0 110.254 179.797 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -55.56 -61.26 2.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.36 -179.935 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 22.2 m170 -66.53 -39.75 88.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.793 -179.383 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 5.3 ttpp -55.31 -53.09 60.52 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.01 0.433 . . . . 0.0 110.534 179.803 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 34.5 t-20 -66.17 -42.94 88.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.995 -179.63 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.602 HD23 ' O ' ' A' ' 118' ' ' LEU . 5.0 tt -57.22 -37.37 72.13 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.808 -179.309 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.421 ' HA ' ' HE2' ' A' ' 96' ' ' LYS . 59.5 mt -89.52 -40.75 13.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 -177.687 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -66.23 -43.51 86.41 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 113.524 0.935 . . . . 0.0 113.524 -178.151 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 77.0 p -75.49 9.98 1.91 Allowed 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 114.592 1.33 . . . . 0.0 114.592 -175.808 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.445 HG21 ' HE3' ' A' ' 96' ' ' LYS . 85.6 t -97.37 119.88 45.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 C-N-CA 120.491 -0.484 . . . . 0.0 110.289 178.541 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 76.3 mtp85 53.29 37.89 26.39 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-O 121.119 0.485 . . . . 0.0 111.672 -179.054 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -154.31 14.34 0.44 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.677 179.033 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 11.7 mtp85 -89.48 39.06 0.93 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.826 0.346 . . . . 0.0 111.837 -178.688 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -116.9 89.41 3.11 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.605 -0.516 . . . . 0.0 109.605 179.332 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 16.7 ttmm -148.01 93.09 2.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.065 0.46 . . . . 0.0 111.695 -179.534 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -132.46 136.9 47.02 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.332 178.475 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -129.16 -82.5 0.57 Allowed 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.673 -0.411 . . . . 0.0 112.09 -178.968 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 117.11 -129.56 8.43 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.759 -0.734 . . . . 0.0 111.96 -178.433 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.182 -0.913 . . . . 0.0 111.027 179.944 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.403 ' OG ' ' N ' ' A' ' 62' ' ' ASN . 9.6 t . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 119.598 -0.239 . . . . 0.0 111.419 . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.403 ' N ' ' OG ' ' A' ' 61' ' ' SER . 0.1 OUTLIER -159.5 20.41 0.18 Allowed 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 118.489 0.586 . . . . 0.0 112.103 -179.831 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -154.27 18.2 0.49 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.774 178.796 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -138.85 48.18 0.88 Allowed Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 121.014 -0.612 . . . . 0.0 111.682 -179.515 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -94.74 177.1 6.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.772 0.32 . . . . 0.0 110.498 -179.919 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 82.2 mt -116.41 173.75 6.43 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.03 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 18.5 t -74.16 144.57 44.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.524 179.606 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.404 ' O ' HD23 ' A' ' 69' ' ' LEU . 31.4 p -107.8 37.24 2.49 Favored 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -179.229 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.404 HD23 ' O ' ' A' ' 68' ' ' CYS . 46.5 mt -125.79 155.48 41.01 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 178.672 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.453 ' HG2' ' HD2' ' A' ' 75' ' ' ARG . 14.2 mtp180 -125.31 120.16 30.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.895 0.379 . . . . 0.0 111.225 -179.78 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -101.68 109.64 21.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.039 179.158 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 54.24 30.28 12.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.615 -179.232 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 95.81 -9.21 68.42 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.844 -0.694 . . . . 0.0 113.228 179.687 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -85.21 125.47 32.88 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 117.038 0.419 . . . . 0.0 111.293 -179.536 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.453 ' HD2' ' HG2' ' A' ' 70' ' ' ARG . 12.3 mmm180 -80.83 60.33 4.04 Favored 'General case' 0 CA--C 1.528 0.133 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.646 -179.33 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 7.6 t 31.89 -87.61 0.0 OUTLIER 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 179.224 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 113.75 -20.61 17.47 Favored Glycine 0 C--N 1.335 0.516 0 C-N-CA 120.51 -0.852 . . . . 0.0 112.737 -179.455 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 59.9 ttt85 -80.16 143.88 33.48 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.824 0.345 . . . . 0.0 110.537 179.849 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.65 154.07 18.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.824 -179.419 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.85 146.07 46.48 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.083 179.053 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -108.73 -126.54 5.38 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.326 -0.94 . . . . 0.0 114.005 -178.625 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -117.01 12.14 14.5 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -178.183 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.604 ' HB2' ' HD3' ' A' ' 116' ' ' LYS . . . -106.51 136.82 45.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.053 0.454 . . . . 0.0 111.698 -179.422 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 38.8 p -107.83 150.55 26.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.443 179.456 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -75.67 122.47 24.02 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 179.043 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 77.0 p -128.85 -168.72 1.96 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.065 0.46 . . . . 0.0 111.425 -179.25 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.6 mtpm? -78.22 -40.94 35.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.898 179.007 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.04 -37.37 69.15 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.337 179.566 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.654 HG23 HG21 ' A' ' 119' ' ' ILE . 16.2 mt -71.03 -35.11 57.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 178.604 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -63.11 -44.17 96.38 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.207 0.527 . . . . 0.0 109.681 179.032 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.1 tmtm? -65.58 -43.15 90.64 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.846 179.051 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.43 ' HB2' ' NH2' ' A' ' 123' ' ' ARG . 31.2 t -57.98 -43.14 86.35 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.054 178.967 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.419 HG23 HG22 ' A' ' 98' ' ' VAL . 96.7 mt -64.43 -45.82 94.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.917 179.119 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 13.7 t -55.13 -44.45 75.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.008 179.898 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -63.14 -19.87 64.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.773 179.377 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.729 ' NZ ' HG21 ' A' ' 122' ' ' VAL . 3.9 mtpm? -97.09 -35.65 10.74 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.196 0.522 . . . . 0.0 109.975 178.97 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? 59.31 75.85 0.38 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.61 -178.472 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.434 HG21 HD12 ' A' ' 100' ' ' ILE . 25.3 m -121.61 170.15 12.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.187 -179.145 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 4.4 mmtm -85.89 45.75 1.24 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.433 -179.742 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.434 HD12 HG21 ' A' ' 98' ' ' VAL . 72.3 mt -117.13 108.73 25.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.842 0.353 . . . . 0.0 110.11 179.465 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -123.17 162.2 22.99 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.096 -179.13 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 19.7 tp -82.65 141.86 32.16 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.187 179.942 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -89.33 134.53 34.02 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 178.213 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.2 mmpp? -84.98 -24.02 28.45 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 111.817 0.303 . . . . 0.0 111.817 -178.621 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 52.2 p -66.36 -21.71 66.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.738 0.304 . . . . 0.0 111.192 -179.857 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -65.79 149.29 50.4 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.099 0.476 . . . . 0.0 111.748 -179.463 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -106.55 -38.74 6.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.712 -179.707 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 16.2 p80 -91.18 168.58 11.51 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.522 -179.303 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 53.3 mt -125.89 73.96 1.39 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.155 179.443 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -143.89 134.15 24.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.363 179.835 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 32.6 pt -116.83 164.66 12.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.927 179.966 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 13.8 p -74.71 170.43 15.85 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.543 179.681 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.421 ' OD1' ' HE3' ' A' ' 116' ' ' LYS . 1.4 t70 -71.93 -35.21 69.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.175 0.512 . . . . 0.0 110.2 179.81 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -48.97 -61.1 2.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.476 -179.896 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 17.1 m80 -65.17 -35.07 79.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.813 -179.339 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.604 ' HD3' ' HB2' ' A' ' 83' ' ' ALA . 11.1 ttpp -56.65 -46.58 80.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.928 0.394 . . . . 0.0 110.602 179.849 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -74.15 -38.39 63.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.121 -179.688 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.612 HD23 ' O ' ' A' ' 118' ' ' LEU . 2.0 tt -64.2 -36.14 83.1 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.514 -179.51 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.654 HG21 HG23 ' A' ' 89' ' ' ILE . 72.7 mt -89.42 -44.01 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 -177.938 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -65.86 -38.85 89.92 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 -178.376 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 19.2 m -95.24 53.72 1.56 Allowed 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 115.015 1.487 . . . . 0.0 115.015 -175.896 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.729 HG21 ' NZ ' ' A' ' 96' ' ' LYS . 72.3 t -126.75 -35.0 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 120.828 0.347 . . . . 0.0 110.356 177.618 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.43 ' NH2' ' HB2' ' A' ' 92' ' ' SER . 18.3 mtm180 -107.69 40.93 1.61 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.123 0.487 . . . . 0.0 110.342 178.293 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -165.9 114.67 0.97 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.542 -0.753 . . . . 0.0 109.572 179.805 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 9.8 mtp180 -142.96 -179.23 6.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.433 0.635 . . . . 0.0 112.375 -178.685 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.71 164.74 27.2 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.043 -0.981 . . . . 0.0 110.342 179.483 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 1.5 mtpm? 59.14 168.84 0.06 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.107 0.48 . . . . 0.0 112.11 179.16 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 40.9 mtt85 58.73 174.95 0.07 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.311 179.476 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.81 -72.93 0.67 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.531 -179.871 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 143.56 122.15 1.64 Allowed Glycine 0 N--CA 1.449 -0.453 0 CA-C-N 115.745 -0.662 . . . . 0.0 112.009 -179.553 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 51.4 p . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.463 -0.779 . . . . 0.0 110.783 -179.709 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 64.3 m . . . . . 0 N--CA 1.483 1.206 0 N-CA-C 111.612 0.227 . . . . 0.0 111.612 . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -125.65 29.22 6.02 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 120.569 -0.452 . . . . 0.0 112.09 -179.083 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -159.98 23.58 0.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.669 178.53 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -119.56 36.97 3.29 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.936 -0.649 . . . . 0.0 112.124 -179.603 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 53.6 mm-40 -118.92 -179.45 3.82 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.712 0.291 . . . . 0.0 110.292 179.95 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.95 148.82 34.21 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.141 0.496 . . . . 0.0 111.449 179.471 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 46.3 t -45.89 139.28 4.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.346 -179.735 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 32.0 p -102.87 27.18 7.27 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.96 0.409 . . . . 0.0 111.177 -179.976 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 57.7 mt -117.96 154.86 31.24 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 179.011 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.403 ' HA ' ' O ' ' A' ' 74' ' ' GLU . 22.3 mtp180 -122.99 116.31 23.34 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.25 -179.163 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 65.7 tt0 -97.37 110.38 22.95 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 178.893 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 66.23 29.66 9.54 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.59 -178.911 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 93.7 -17.48 58.51 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.89 -0.671 . . . . 0.0 113.075 179.474 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.403 ' O ' ' HA ' ' A' ' 70' ' ' ARG . 5.5 mm-40 -90.16 136.23 33.18 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.912 0.387 . . . . 0.0 111.489 -179.541 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 77' ' ' GLY . 14.8 tpp85 -73.24 63.38 0.72 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.769 -0.65 . . . . 0.0 112.67 -178.406 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 10.4 t 43.79 -85.72 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 178.406 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 114.41 -2.14 23.62 Favored Glycine 0 C--N 1.334 0.42 0 C-N-CA 120.48 -0.866 . . . . 0.0 112.939 -179.485 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 65.0 ttt180 -104.86 142.49 34.65 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 179.358 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.25 141.3 58.82 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.063 0.458 . . . . 0.0 111.839 -178.788 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -54.43 157.29 2.89 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.267 -179.823 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -112.81 -128.33 4.92 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.595 -0.812 . . . . 0.0 113.786 -179.065 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -117.16 10.09 13.74 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -178.371 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.442 ' HB2' ' CD ' ' A' ' 116' ' ' LYS . . . -105.6 168.06 9.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.147 0.499 . . . . 0.0 111.694 -179.405 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 59.8 p -135.12 137.99 43.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.67 179.693 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -61.7 129.49 41.31 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 179.092 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 56.4 p -134.41 -163.77 1.42 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.09 0.471 . . . . 0.0 111.478 -179.079 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.475 ' NZ ' ' HB2' ' A' ' 87' ' ' LYS . 1.0 OUTLIER -78.08 -47.9 17.26 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.499 179.402 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.6 tmm_? -51.89 -46.24 64.46 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.288 179.928 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.427 HG23 HG21 ' A' ' 119' ' ' ILE . 33.0 mt -62.8 -31.85 53.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 178.956 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -68.76 -45.65 70.87 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 178.381 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.6 mmtm -60.84 -40.12 91.65 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 114.818 -1.083 . . . . 0.0 109.856 178.73 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.6 t -65.84 -49.29 68.72 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.272 179.234 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 89' ' ' ILE . 64.2 mt -64.24 -32.12 56.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.184 179.213 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 38.5 m -67.49 -49.48 63.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.066 -179.966 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -67.56 -34.35 76.89 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 179.49 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.84 ' HE2' HG21 ' A' ' 122' ' ' VAL . 4.8 mtpm? -65.3 -41.41 94.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.287 0.565 . . . . 0.0 109.84 178.551 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 16.5 tttp 62.99 67.7 0.67 Allowed 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.346 -178.611 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 11.4 m -121.06 178.75 2.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.134 -0.939 . . . . 0.0 111.232 -179.243 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 6.5 mttp -95.42 45.67 1.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.581 -179.542 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 69.2 mt -122.28 94.73 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.258 179.059 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -113.82 164.48 13.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.073 0.463 . . . . 0.0 110.948 -179.867 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 12.1 tp -84.65 140.25 31.46 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.201 179.857 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 32.6 t0 -89.73 140.34 29.67 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 177.794 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 22.2 mtmm -98.34 -8.05 27.77 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 -178.472 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 9.1 p -81.85 -4.21 55.93 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 121.047 -0.261 . . . . 0.0 110.937 179.107 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -70.96 163.82 26.72 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-O 121.264 0.554 . . . . 0.0 112.012 -179.246 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.59 14.36 16.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.641 179.836 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 108' ' ' HIS . . . . . 0.405 ' O ' HD23 ' A' ' 109' ' ' LEU . 11.4 p80 -165.16 172.28 12.72 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 120.942 0.401 . . . . 0.0 110.726 -178.973 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.405 HD23 ' O ' ' A' ' 108' ' ' HIS . 49.8 mt -128.75 87.1 2.53 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.167 178.863 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -147.01 111.72 5.31 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.34 179.927 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 35.4 pt -89.32 173.15 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.964 -179.971 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 9.4 p -88.66 167.6 13.22 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.539 179.621 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -65.6 -35.83 81.95 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.109 0.481 . . . . 0.0 110.32 179.652 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -53.7 -58.88 5.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.325 179.896 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -66.97 -33.7 76.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.734 -179.381 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.442 ' CD ' ' HB2' ' A' ' 83' ' ' ALA . 15.9 ttpp -57.04 -53.09 62.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.95 0.405 . . . . 0.0 110.477 179.707 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -69.57 -42.58 74.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.307 -179.496 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.582 HD23 ' O ' ' A' ' 118' ' ' LEU . 5.9 tt -56.69 -40.06 74.92 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.598 -179.386 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.427 HG21 HG23 ' A' ' 89' ' ' ILE . 53.6 mt -87.34 -41.35 14.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 -177.789 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -65.75 -40.57 92.23 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 -178.44 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 15.7 p -83.37 13.97 3.98 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 -175.775 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.84 HG21 ' HE2' ' A' ' 96' ' ' LYS . 97.1 t -95.76 -18.36 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 C-N-CA 120.269 -0.573 . . . . 0.0 110.56 178.522 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 10.8 mtp180 -113.2 -4.41 13.76 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.499 177.833 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -141.63 112.71 7.39 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 179.434 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.422 ' NH1' ' OXT' ' A' ' 131' ' ' SER . 2.4 ttm180 -64.22 -72.79 0.13 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.451 -178.876 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.459 ' HD2' ' OXT' ' A' ' 131' ' ' SER . 15.5 mtt85 -119.64 162.03 19.66 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.618 0.247 . . . . 0.0 110.602 -179.995 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.92 -67.34 0.77 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.151 0.5 . . . . 0.0 109.936 179.564 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 -156.58 110.95 2.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.747 178.679 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 4.5 tptm -172.32 -48.78 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.962 0.41 . . . . 0.0 110.569 -179.588 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 156.68 -117.81 0.8 Allowed Glycine 0 N--CA 1.45 -0.412 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.974 -179.786 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 131' ' ' SER . . . . . 0.459 ' OXT' ' HD2' ' A' ' 126' ' ' ARG . 5.5 t . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.304 -0.855 . . . . 0.0 110.699 179.503 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 47.4 m . . . . . 0 N--CA 1.485 1.295 0 CA-C-O 120.873 0.368 . . . . 0.0 111.509 . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -155.13 56.86 0.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.37 0.605 . . . . 0.0 110.859 178.719 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -131.61 54.88 1.89 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.18 -0.918 . . . . 0.0 109.157 178.63 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 152.6 82.2 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.435 0 CA-C-N 115.186 -0.916 . . . . 0.0 110.994 -178.98 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -63.55 169.4 3.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.12 0.486 . . . . 0.0 111.984 -178.681 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 24.2 mt -115.96 148.21 40.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.79 -179.89 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 41.4 t -47.82 144.02 3.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 179.732 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 20.4 p -104.07 32.31 4.04 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.823 0.344 . . . . 0.0 111.552 -179.487 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 61.3 mt -119.54 158.73 25.73 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 178.855 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.424 ' HA ' ' O ' ' A' ' 74' ' ' GLU . 36.7 mtp180 -125.56 129.52 49.86 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.745 0.307 . . . . 0.0 111.278 -179.5 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -103.37 100.3 10.17 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 178.838 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 65.37 22.99 12.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.669 -179.0 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 110.1 -20.83 25.69 Favored Glycine 0 C--N 1.333 0.363 0 C-N-CA 120.748 -0.739 . . . . 0.0 113.046 179.64 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.424 ' O ' ' HA ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -82.11 127.75 33.44 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.658 0.266 . . . . 0.0 111.007 -179.361 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.47 ' O ' ' N ' ' A' ' 77' ' ' GLY . 39.4 mmm-85 -73.93 60.14 0.73 Allowed 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -178.875 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.0 t 47.12 -78.38 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 113.419 0.896 . . . . 0.0 113.419 179.004 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 101.24 -2.11 54.4 Favored Glycine 0 CA--C 1.521 0.438 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.674 -178.961 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.432 ' HG2' ' N ' ' A' ' 79' ' ' ALA . 22.4 ttt85 -104.94 147.15 28.08 Favored 'General case' 0 CA--C 1.529 0.138 0 CA-C-O 120.684 0.278 . . . . 0.0 110.677 179.788 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.432 ' N ' ' HG2' ' A' ' 78' ' ' ARG . . . -57.91 163.95 2.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.704 -179.603 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -85.84 151.31 23.9 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.248 179.192 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -109.51 -135.46 7.25 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.447 -0.883 . . . . 0.0 114.024 -178.718 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -106.71 -3.43 20.55 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 112.208 0.448 . . . . 0.0 112.208 -178.514 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.442 ' HB2' ' CD ' ' A' ' 116' ' ' LYS . . . -87.38 166.96 14.45 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.018 0.437 . . . . 0.0 111.749 -179.301 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.3 p -132.91 155.22 49.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.362 179.457 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -84.88 146.74 27.13 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.277 -0.419 . . . . 0.0 109.883 179.083 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 86.5 p -154.89 -165.81 2.14 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.973 0.415 . . . . 0.0 111.173 -179.262 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 10.6 mtmm -79.13 -45.01 20.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.079 178.971 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.6 tmm_? -52.23 -39.13 59.87 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.57 -179.999 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.779 HG23 HG21 ' A' ' 119' ' ' ILE . 35.9 mt -70.29 -35.15 61.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.26 179.524 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -65.32 -40.66 94.0 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 178.879 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.57 -48.11 65.09 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.371 -0.832 . . . . 0.0 110.051 179.373 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 48.0 t -53.44 -46.09 69.71 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 178.956 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.456 HG23 HG22 ' A' ' 98' ' ' VAL . 97.3 mt -60.54 -52.72 58.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.187 179.111 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.4 m -51.08 -37.97 48.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.256 -179.829 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -74.39 -36.74 63.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.905 0.383 . . . . 0.0 109.968 179.724 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.689 ' HE2' HG21 ' A' ' 122' ' ' VAL . 7.3 mtpm? -69.9 -31.72 69.67 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 178.34 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 6.7 mmtp 61.62 71.05 0.56 Allowed 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 115.496 -0.774 . . . . 0.0 109.471 -178.751 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.456 HG22 HG23 ' A' ' 93' ' ' ILE . 25.8 m -130.21 162.55 37.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.321 -179.108 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.84 64.43 7.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.42 -179.633 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.9 mt -138.15 108.46 4.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.997 0.427 . . . . 0.0 110.621 179.179 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -136.08 152.05 50.46 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.471 -179.941 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.47 130.68 35.64 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.128 0.489 . . . . 0.0 112.004 -179.263 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 51.0 t0 -79.4 134.98 36.57 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 177.74 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 16.1 mtmt -86.93 -0.02 55.84 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -179.186 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 24.1 p -84.07 -14.55 50.18 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.666 0.27 . . . . 0.0 110.811 179.188 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -77.36 -169.94 1.58 Allowed 'General case' 0 C--O 1.231 0.107 0 CA-C-O 120.951 0.405 . . . . 0.0 111.66 -179.591 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.25 -71.08 0.5 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.151 -179.553 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 27.8 p80 -59.57 162.12 5.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.658 -179.332 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 49.2 mt -125.06 67.39 1.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.301 179.475 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -137.9 107.15 6.07 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.39 179.96 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 27.2 pt -78.62 -180.0 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.924 179.834 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 112' ' ' CYS . . . . . 0.429 ' HB2' ' HD3' ' A' ' 78' ' ' ARG . 12.5 p -96.62 160.07 14.59 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.686 179.924 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.401 ' HB2' ' NH2' ' A' ' 78' ' ' ARG . 2.0 m-20 -56.58 -37.31 70.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.949 0.404 . . . . 0.0 110.512 179.552 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -53.14 -62.03 1.92 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.384 -179.593 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 25.1 m170 -65.8 -28.31 68.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.498 -179.363 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.442 ' CD ' ' HB2' ' A' ' 83' ' ' ALA . 10.0 ttpp -63.51 -54.07 42.11 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.015 0.436 . . . . 0.0 110.527 179.815 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 18.1 t30 -63.95 -45.97 86.79 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.743 179.942 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.807 ' O ' HG23 ' A' ' 122' ' ' VAL . 4.1 tt -56.05 -54.43 45.0 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.973 -179.026 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.779 HG21 HG23 ' A' ' 89' ' ' ILE . 64.5 mt -71.72 -42.37 70.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 -177.939 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -73.88 -36.91 64.84 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 -178.416 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 50.1 m -87.09 20.9 2.51 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 115.01 1.485 . . . . 0.0 115.01 -175.81 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.807 HG23 ' O ' ' A' ' 118' ' ' LEU . 91.8 t -98.49 -17.18 6.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.471 178.133 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -117.01 -4.62 11.48 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.294 178.532 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -164.62 98.13 0.78 Allowed 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.113 -179.916 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -80.57 -81.86 0.12 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.861 0.362 . . . . 0.0 111.441 -179.469 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 56.8 mtt-85 -144.85 35.21 1.13 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.862 -179.901 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.48 100.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.545 -0.752 . . . . 0.0 112.202 179.036 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.416 ' HD2' ' OXT' ' A' ' 131' ' ' SER . 0.0 OUTLIER 45.65 -158.49 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.603 178.687 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.88 -42.33 3.42 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 121.008 0.432 . . . . 0.0 110.348 179.342 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -152.93 52.92 0.47 Allowed Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.516 -179.778 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 131' ' ' SER . . . . . 0.416 ' OXT' ' HD2' ' A' ' 128' ' ' ARG . 27.3 m . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.149 -0.929 . . . . 0.0 111.191 179.672 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 46.4 t . . . . . 0 N--CA 1.484 1.274 0 CA-C-O 121.187 0.517 . . . . 0.0 111.8 . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -143.06 99.28 3.42 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.307 178.877 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -133.3 59.78 1.72 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.986 179.371 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 175.57 61.32 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 CA-C-N 115.47 -0.787 . . . . 0.0 111.475 -179.68 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -73.37 179.64 3.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.148 0.499 . . . . 0.0 111.537 -179.236 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 65.0 mt -125.04 160.7 28.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.729 179.759 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.44 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 21.7 t -46.02 149.52 0.67 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.099 179.694 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 17.7 p -106.16 6.51 30.98 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 111.723 0.268 . . . . 0.0 111.723 179.82 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 85.4 mt -101.73 160.51 14.41 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 178.715 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.406 ' HD2' ' HB2' ' A' ' 103' ' ' ASP . 52.6 mtp180 -124.93 118.19 25.74 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.781 0.324 . . . . 0.0 111.211 -179.687 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -98.88 117.5 33.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.05 179.032 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 57.87 37.72 26.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.529 -179.13 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 80.36 -7.97 55.09 Favored Glycine 0 N--CA 1.451 -0.329 0 CA-C-N 115.872 -0.604 . . . . 0.0 113.197 179.691 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -99.24 132.99 44.17 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 117.248 0.524 . . . . 0.0 111.017 179.912 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.423 ' O ' ' N ' ' A' ' 77' ' ' GLY . 4.3 mmm180 -69.06 67.25 0.16 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.422 -0.808 . . . . 0.0 112.819 -178.174 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.44 ' HB3' ' HB3' ' A' ' 67' ' ' CYS . 12.3 t 37.43 -89.08 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 112.797 0.666 . . . . 0.0 112.797 178.1 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 124.05 -27.41 5.63 Favored Glycine 0 C--N 1.336 0.533 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.655 -179.52 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.465 ' HD3' ' HB2' ' A' ' 112' ' ' CYS . 44.9 ttt85 -77.73 148.53 34.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.656 0.265 . . . . 0.0 110.578 179.79 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.7 150.84 35.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.64 -179.621 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.91 157.1 37.3 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.079 179.252 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -109.66 -120.29 4.24 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.333 -0.937 . . . . 0.0 113.852 -178.838 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -124.49 -25.59 4.02 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -178.413 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -75.03 167.95 20.92 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.138 0.494 . . . . 0.0 111.951 -179.187 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.3 m -125.17 169.6 12.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.238 179.636 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -94.68 122.21 37.05 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.016 179.25 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 95.6 p -126.36 -162.42 1.14 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.733 -179.258 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.84 -44.52 18.31 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 178.752 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -51.49 -39.76 58.18 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.884 -179.091 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.6 HG23 HG21 ' A' ' 119' ' ' ILE . 54.1 mt -68.62 -35.35 69.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.001 0.429 . . . . 0.0 109.901 179.206 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -63.31 -48.29 78.68 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-O 121.777 0.799 . . . . 0.0 109.114 178.283 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.3 mmtp -61.32 -45.41 94.54 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 114.3 -1.318 . . . . 0.0 110.54 179.332 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 33.6 t -59.96 -41.15 91.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.044 179.078 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.519 HG23 HG22 ' A' ' 98' ' ' VAL . 87.2 mt -64.85 -45.53 94.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.912 178.917 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 20.0 t -52.5 -52.15 55.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.004 -179.937 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -59.2 -29.38 67.45 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.056 0.455 . . . . 0.0 110.016 179.723 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp -79.27 -38.56 35.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.946 178.813 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.48 77.48 0.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.276 -0.874 . . . . 0.0 109.628 -178.616 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.519 HG22 HG23 ' A' ' 93' ' ' ILE . 27.9 m -130.69 -178.78 2.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.558 -0.747 . . . . 0.0 111.264 -179.237 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -101.83 61.4 0.89 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.374 -179.51 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 67.8 mt -134.06 105.59 7.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.052 179.072 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -132.73 164.57 26.49 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.978 -179.797 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 13.3 tp -86.56 143.28 27.76 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.73 -179.459 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.406 ' HB2' ' HD2' ' A' ' 70' ' ' ARG . 23.5 t0 -95.38 150.63 20.06 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 177.87 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.88 2.27 56.63 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.114 0.412 . . . . 0.0 112.114 -179.263 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 6.7 m -82.16 -37.36 26.28 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.968 0.413 . . . . 0.0 110.726 179.684 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.95 131.74 43.37 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.622 -179.414 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.19 -37.78 15.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.37 179.941 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 19.2 p80 -80.06 157.3 26.75 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.98 0.419 . . . . 0.0 111.388 -179.457 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 83.8 mt -121.97 83.07 2.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.087 178.96 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -147.99 117.89 7.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.298 -179.831 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 30.8 pt -96.02 162.53 2.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.841 179.873 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 112' ' ' CYS . . . . . 0.465 ' HB2' ' HD3' ' A' ' 78' ' ' ARG . 8.2 p -75.02 171.3 14.34 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.595 179.689 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -72.93 -28.79 62.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.01 0.433 . . . . 0.0 110.68 179.882 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -59.52 -61.72 2.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.452 -179.627 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 22.4 m170 -64.01 -36.32 83.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.662 -179.311 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.66 -53.79 54.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.982 0.42 . . . . 0.0 110.817 179.948 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 34.3 t30 -65.64 -37.99 88.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.267 -179.428 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.46 HD23 ' O ' ' A' ' 118' ' ' LEU . 4.5 tt -62.44 -50.01 73.16 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.598 -179.5 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.6 HG21 HG23 ' A' ' 89' ' ' ILE . 75.7 mt -74.19 -45.47 47.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -178.079 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.415 ' O ' ' HB3' ' A' ' 124' ' ' ASN . 1.0 OUTLIER -63.86 -40.14 95.86 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 -178.252 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.8 t -76.75 9.29 2.92 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 114.379 1.252 . . . . 0.0 114.379 -175.961 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 72.7 t -97.38 -26.24 4.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 C-N-CA 120.404 -0.519 . . . . 0.0 110.369 178.751 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 9.9 mtm180 -136.62 41.17 2.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.21 0.528 . . . . 0.0 110.169 178.912 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 124' ' ' ASN . . . . . 0.415 ' HB3' ' O ' ' A' ' 120' ' ' GLN . 51.9 t30 -169.99 86.22 0.13 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.401 179.803 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.1 mtm180 -108.25 154.88 21.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.349 0.595 . . . . 0.0 112.215 -178.393 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.0 ttt-85 -108.74 -36.26 6.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.618 179.258 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.427 ' HG2' ' CD ' ' A' ' 128' ' ' ARG . 11.8 ttmm 62.77 159.88 0.08 Allowed 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.489 -0.778 . . . . 0.0 112.466 178.676 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.427 ' CD ' ' HG2' ' A' ' 127' ' ' LYS . 0.9 OUTLIER 58.69 -175.92 0.09 Allowed 'General case' 0 C--N 1.334 -0.075 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.155 179.27 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -156.84 -92.43 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 116.55 -0.296 . . . . 0.0 111.53 179.641 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 169.76 -174.24 43.99 Favored Glycine 0 N--CA 1.447 -0.573 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 -178.462 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 11.9 t . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.434 -179.568 . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.7 t . . . . . 0 N--CA 1.482 1.16 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -118.43 100.19 7.31 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -179.766 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -154.29 8.98 0.35 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.851 177.732 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -140.88 59.73 0.56 Allowed Glycine 0 C--N 1.335 0.524 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 -179.608 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -96.61 170.43 9.21 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.072 0.463 . . . . 0.0 111.154 -179.164 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 82.2 mt -139.41 148.97 43.52 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.36 179.349 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.4 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 44.5 t -49.75 150.94 1.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.829 179.85 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 71.8 m -117.13 27.24 9.24 Favored 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -178.915 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 75.7 mt -114.12 163.35 15.31 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 178.695 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.417 ' HA ' ' O ' ' A' ' 74' ' ' GLU . 37.2 mtp180 -124.68 123.2 39.51 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.405 -179.577 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.404 ' O ' ' HB2' ' A' ' 72' ' ' ASP . 30.3 tt0 -104.33 92.66 4.43 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 178.651 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.404 ' HB2' ' O ' ' A' ' 71' ' ' GLU . 8.6 m-20 66.88 43.39 2.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.757 -178.89 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 90.35 -19.61 42.49 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.928 -0.653 . . . . 0.0 113.099 179.352 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.417 ' O ' ' HA ' ' A' ' 70' ' ' ARG . 1.9 mm-40 -83.84 129.34 34.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.812 0.306 . . . . 0.0 111.368 -179.476 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 77' ' ' GLY . 1.8 tmm_? -81.93 59.64 4.41 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.45 -179.182 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.4 ' HB3' ' HB3' ' A' ' 67' ' ' CYS . 11.8 t 40.03 -84.23 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 113.221 0.823 . . . . 0.0 113.221 179.004 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 110.23 -23.96 19.51 Favored Glycine 0 C--N 1.333 0.4 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.168 -179.292 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 28.7 ttt85 -76.58 146.65 38.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.674 0.273 . . . . 0.0 110.341 179.726 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.84 157.48 21.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.652 -179.545 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.2 151.93 39.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.08 179.139 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -109.96 -135.58 7.16 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.358 -0.925 . . . . 0.0 113.885 -178.84 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -104.28 -10.27 17.97 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -178.812 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -83.43 170.21 14.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.072 0.463 . . . . 0.0 111.641 -179.462 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.0 p -139.15 140.08 37.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.6 179.605 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -63.61 125.3 23.82 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 179.088 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 93.1 p -129.64 -167.45 1.8 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.958 0.409 . . . . 0.0 111.316 -178.958 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -78.85 -41.19 30.61 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.587 179.609 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.58 -43.64 72.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.45 179.344 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 34.8 mt -65.75 -38.81 83.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.084 179.422 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.68 -51.83 65.66 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-O 121.636 0.731 . . . . 0.0 109.271 178.667 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -55.56 -40.35 71.82 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 114.667 -1.151 . . . . 0.0 109.928 178.941 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 14.9 t -61.17 -51.93 66.96 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.952 178.793 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.404 ' HA ' ' HD3' ' A' ' 96' ' ' LYS . 89.4 mt -53.0 -53.43 21.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.342 179.204 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 52.2 m -52.89 -40.36 63.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.055 -179.765 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -75.65 -18.34 59.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.884 0.374 . . . . 0.0 110.546 179.168 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.404 ' HD3' ' HA ' ' A' ' 93' ' ' ILE . 20.1 mtpp -84.92 -40.18 17.31 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-O 121.235 0.541 . . . . 0.0 110.099 178.711 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 7.2 tptt 71.66 72.46 0.17 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.417 -0.81 . . . . 0.0 109.336 -178.602 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 15.7 m -135.44 172.78 15.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.392 -179.1 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -93.46 63.69 3.54 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.388 -179.727 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 72.8 mt -129.33 117.97 44.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.525 179.372 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -133.78 159.84 39.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.452 179.595 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -77.8 123.84 27.22 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.063 0.459 . . . . 0.0 111.754 -179.526 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -77.04 111.57 12.75 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 178.134 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.29 -4.64 48.92 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.303 0.482 . . . . 0.0 112.303 -178.626 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 60.8 p -81.75 -3.68 54.41 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 121.164 -0.214 . . . . 0.0 111.552 179.88 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -72.92 -159.88 0.07 Allowed 'General case' 0 C--O 1.232 0.134 0 CA-C-O 120.918 0.39 . . . . 0.0 111.193 -179.798 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 15.0 mtp180 -138.78 4.44 2.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.362 178.973 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -163.02 -179.51 6.78 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 121.067 0.461 . . . . 0.0 111.434 -178.741 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 33.5 mt -118.54 81.9 1.76 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.802 178.312 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -141.96 120.52 12.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.573 179.852 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 43.4 pt -100.83 168.89 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.95 179.842 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 23.6 p -86.62 174.6 8.79 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.493 179.531 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -73.9 -28.71 61.68 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.468 179.605 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -58.96 -61.99 2.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.634 -179.408 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 22.2 m80 -66.23 -26.15 67.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.69 -179.314 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.85 -54.11 25.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.046 0.45 . . . . 0.0 110.658 179.801 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 32.9 t30 -69.86 -28.71 65.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.066 -179.748 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.566 HD23 ' O ' ' A' ' 118' ' ' LEU . 4.3 tt -72.9 -48.75 34.5 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.777 -179.089 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 67.8 mt -79.1 -41.97 23.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 113.275 0.843 . . . . 0.0 113.275 -177.952 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -62.65 -36.39 82.68 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 -178.238 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.91 33.28 0.86 Allowed 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 114.841 1.422 . . . . 0.0 114.841 -175.653 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 72.2 t -104.09 -32.06 2.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.115 0.483 . . . . 0.0 109.724 177.861 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 29.6 mtm180 -129.74 78.62 1.86 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.9 178.018 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 11.4 p-10 -124.84 110.95 14.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.625 -179.303 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 42.7 mtm180 -114.38 -47.44 2.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.055 0.455 . . . . 0.0 111.283 -179.533 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 26.1 ttt180 -161.81 -41.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.419 -179.724 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 4.8 ttpp 39.45 66.5 0.56 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.068 -0.969 . . . . 0.0 113.073 178.207 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 2.0 ttt85 -131.02 -1.92 4.07 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.462 176.779 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? 58.59 -155.13 0.35 Allowed 'General case' 0 CA--C 1.531 0.216 0 CA-C-O 120.532 0.206 . . . . 0.0 110.447 -179.9 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -173.23 51.16 0.16 Allowed Glycine 0 N--CA 1.446 -0.647 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 179.813 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.323 -0.846 . . . . 0.0 110.783 -179.381 . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.485 1.301 0 CA-C-O 121.114 0.483 . . . . 0.0 111.613 . . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 20.5 m-20 -125.04 89.43 3.06 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.767 -0.652 . . . . 0.0 111.836 -179.332 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -166.23 24.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.694 178.286 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -176.29 85.01 0.07 OUTLIER Glycine 0 N--CA 1.449 -0.467 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 -179.078 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -94.42 159.6 15.03 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.108 0.48 . . . . 0.0 112.093 -178.683 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 51.2 mt -116.52 152.13 34.73 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.201 179.069 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.432 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 41.4 t -47.23 154.75 0.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.13 -179.919 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.552 ' SG ' ' HB1' ' A' ' 106' ' ' ALA . 61.7 m -122.2 35.0 4.99 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 112.762 0.653 . . . . 0.0 112.762 -178.486 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 93.1 mt -121.62 165.76 15.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.862 0.363 . . . . 0.0 110.621 178.311 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.473 ' HG2' ' HD2' ' A' ' 75' ' ' ARG . 34.5 mtp180 -130.84 115.84 17.13 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.087 -179.953 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -101.19 108.08 19.65 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 178.99 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 55.32 27.07 9.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.747 -179.139 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 102.53 -4.99 51.19 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.806 -0.711 . . . . 0.0 113.4 179.314 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -92.79 123.46 36.08 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 117.219 0.509 . . . . 0.0 111.773 -179.555 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.473 ' HD2' ' HG2' ' A' ' 70' ' ' ARG . 5.8 mmm-85 -80.31 58.57 3.13 Favored 'General case' 0 C--O 1.227 -0.087 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.747 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.432 ' HB3' ' HB3' ' A' ' 67' ' ' CYS . 10.2 t 31.5 -85.87 0.0 OUTLIER 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 179.638 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 109.16 -21.16 27.4 Favored Glycine 0 C--N 1.336 0.544 0 C-N-CA 120.531 -0.842 . . . . 0.0 112.534 -179.613 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 35.3 ttt85 -71.92 147.66 46.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.842 0.353 . . . . 0.0 110.56 179.779 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.73 147.8 36.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.759 -179.426 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.98 150.42 45.68 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.119 179.05 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -109.96 -131.97 6.24 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.371 -0.918 . . . . 0.0 114.002 -178.632 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -115.97 18.09 15.67 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.605 -0.298 . . . . 0.0 111.773 -178.405 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -111.87 164.34 13.2 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.068 0.461 . . . . 0.0 111.775 -179.417 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 17.5 p -129.34 157.58 41.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.46 179.467 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -84.47 111.48 19.52 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.695 179.192 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 53.6 p -113.69 -171.52 1.91 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.055 0.455 . . . . 0.0 111.614 -178.641 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.43 -42.36 36.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.12 178.974 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.59 -41.23 61.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.122 179.545 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.636 HG23 HG21 ' A' ' 119' ' ' ILE . 76.1 mt -71.43 -38.43 68.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.212 179.436 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.96 -42.2 93.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.319 0.581 . . . . 0.0 109.654 178.902 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.04 -54.43 11.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.155 179.594 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 19.9 t -51.26 -31.47 21.16 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.07 0.462 . . . . 0.0 109.924 179.129 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.483 HG23 ' CG2' ' A' ' 98' ' ' VAL . 52.5 mt -73.6 -55.06 13.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.646 -0.707 . . . . 0.0 109.977 178.799 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.5 t -51.43 -30.46 19.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.151 -179.463 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -83.72 -33.11 25.18 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.91 0.386 . . . . 0.0 109.964 179.52 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.469 ' HZ3' HG11 ' A' ' 122' ' ' VAL . 12.0 mtpp -62.52 -25.58 68.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.16 178.511 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.88 63.37 0.39 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.539 -178.82 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.483 ' CG2' HG23 ' A' ' 93' ' ' ILE . 25.6 m -132.65 160.39 42.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.039 -179.401 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 5.6 mttm -95.64 69.52 2.97 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.552 -179.588 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 37.1 mt -126.5 108.29 18.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.363 179.146 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -120.93 166.79 13.32 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.604 179.774 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.686 HD12 ' H ' ' A' ' 103' ' ' ASP . 23.4 tp -89.91 143.47 26.76 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.211 0.529 . . . . 0.0 111.736 -179.605 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.686 ' H ' HD12 ' A' ' 102' ' ' LEU . 32.5 t70 -101.6 136.49 41.35 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 178.109 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 8.7 mmtp -92.75 -21.42 19.95 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -178.707 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 98.4 p -90.03 23.13 2.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.631 0.253 . . . . 0.0 111.087 179.953 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.552 ' HB1' ' SG ' ' A' ' 68' ' ' CYS . . . -77.13 -90.06 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -178.816 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.437 ' HB3' ' CD2' ' A' ' 108' ' ' HIS . 4.2 ttm180 174.21 -27.75 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.802 -177.228 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 108' ' ' HIS . . . . . 0.437 ' CD2' ' HB3' ' A' ' 107' ' ' ARG . 11.2 p80 -169.53 -169.04 0.86 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.446 -179.591 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 24.0 mt -118.14 70.2 0.8 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.115 0.483 . . . . 0.0 109.965 178.573 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.41 ' HB2' ' CE1' ' A' ' 108' ' ' HIS . 53.9 m-85 -135.95 122.93 21.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.23 -179.644 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 34.4 pt -105.32 161.33 5.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.948 -179.877 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 7.9 p -75.24 171.57 13.95 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.467 179.568 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -70.31 -36.09 74.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.065 0.46 . . . . 0.0 110.476 179.725 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -48.77 -61.63 1.94 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.3 179.989 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 21.3 m170 -62.55 -28.64 70.0 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.748 -179.087 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 16.6 ttpp -64.3 -53.29 51.27 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.986 0.422 . . . . 0.0 110.653 179.68 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -67.07 -34.13 77.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.187 -179.676 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.543 ' C ' HD23 ' A' ' 118' ' ' LEU . 7.0 tt -67.62 -50.2 59.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.064 -0.516 . . . . 0.0 112.03 -179.115 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.636 HG21 HG23 ' A' ' 89' ' ' ILE . 64.3 mt -74.05 -47.73 40.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 113.145 0.795 . . . . 0.0 113.145 -178.082 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -59.09 -42.2 89.91 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 -178.35 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 49.5 m -97.96 63.82 1.66 Allowed 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 -175.861 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.469 HG11 ' HZ3' ' A' ' 96' ' ' LYS . 42.8 t -130.0 -34.71 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.637 0.256 . . . . 0.0 110.47 177.507 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 25.5 mtp-105 -96.89 42.92 1.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.121 0.486 . . . . 0.0 109.842 178.571 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -105.74 120.57 42.04 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.144 -179.749 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.25 -42.19 0.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.035 179.801 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.49 -51.51 0.07 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.833 -0.622 . . . . 0.0 109.457 179.462 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 38.63 49.5 1.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.185 -0.916 . . . . 0.0 112.807 179.06 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.4 -35.13 5.04 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 177.74 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 28.7 mmtp 60.62 -165.9 0.21 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.134 178.962 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 143.3 -4.75 1.81 Allowed Glycine 0 CA--C 1.522 0.493 0 C-N-CA 121.004 -0.617 . . . . 0.0 112.533 -179.24 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 23.3 t . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.567 179.568 . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 39.7 m . . . . . 0 N--CA 1.479 1.018 0 CA-C-O 121.364 0.602 . . . . 0.0 110.824 . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 39.6 t-20 61.73 42.66 10.5 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.129 -0.941 . . . . 0.0 109.872 -178.31 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -152.32 132.54 13.58 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 114.99 -1.004 . . . . 0.0 109.017 178.908 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 74.88 72.87 0.99 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.072 -1.061 . . . . 0.0 110.523 -178.06 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -93.25 158.12 15.91 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.012 0.434 . . . . 0.0 111.234 -178.278 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -108.48 141.05 40.92 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.28 0.562 . . . . 0.0 111.512 179.921 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 42.4 t -44.11 143.76 1.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.386 -179.811 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 28.4 p -101.04 24.18 9.73 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.319 -179.94 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.436 HD12 ' ND1' ' A' ' 115' ' ' HIS . 88.6 mt -110.98 150.15 29.67 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 178.851 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.417 ' HA ' ' O ' ' A' ' 74' ' ' GLU . 9.3 mtp180 -119.77 111.9 18.57 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.842 0.353 . . . . 0.0 111.354 -179.393 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -94.93 103.21 15.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.259 179.334 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 69.25 46.63 0.77 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.868 -179.543 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 74.15 -4.62 31.23 Favored Glycine 0 CA--C 1.521 0.421 0 C-N-CA 120.907 -0.663 . . . . 0.0 113.358 179.671 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.417 ' O ' ' HA ' ' A' ' 70' ' ' ARG . 25.8 mm-40 -101.35 135.34 43.0 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 117.247 0.524 . . . . 0.0 110.807 -179.53 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.478 ' O ' ' N ' ' A' ' 77' ' ' GLY . 10.9 tpp85 -69.85 61.89 0.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.33 -178.405 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 6.9 t 48.87 -79.32 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 178.45 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 114.04 -24.22 11.98 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 120.676 -0.773 . . . . 0.0 111.963 -179.196 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 46.9 ttt85 -89.03 147.54 24.21 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 179.297 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -77.93 146.96 35.23 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.919 0.39 . . . . 0.0 111.528 -178.911 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.28 154.37 8.2 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.726 179.69 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -130.51 -132.03 3.38 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.161 -1.019 . . . . 0.0 114.049 -178.976 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -101.47 64.63 1.01 Allowed 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 111.925 0.342 . . . . 0.0 111.925 -178.348 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -163.48 179.67 7.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.975 0.417 . . . . 0.0 111.447 179.872 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 33.8 p -145.94 177.26 9.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.566 179.782 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -106.3 124.06 49.0 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.592 179.042 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 64.5 p -127.46 -169.33 2.03 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.982 0.42 . . . . 0.0 111.635 -178.479 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.411 ' H ' ' HG2' ' A' ' 87' ' ' LYS . 2.9 mmtm -76.32 -44.04 38.59 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.858 179.065 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.443 ' HD3' ' NH2' ' A' ' 123' ' ' ARG . 3.5 tmm_? -52.1 -37.88 55.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.684 -179.682 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.454 HG23 HD13 ' A' ' 119' ' ' ILE . 25.3 mt -69.43 -38.08 76.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.218 179.524 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -63.1 -44.53 95.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.192 0.52 . . . . 0.0 109.717 178.849 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -65.63 -47.55 75.23 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.78 179.254 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 35.5 t -54.06 -48.37 70.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.928 179.247 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 95.6 mt -64.42 -40.26 88.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.965 178.923 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 19.1 t -53.51 -53.97 43.92 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.972 179.941 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 48.8 tp60 -57.71 -38.31 75.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.998 0.427 . . . . 0.0 110.043 179.81 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.435 ' HE2' HG21 ' A' ' 122' ' ' VAL . 10.6 mttm -67.17 -42.89 83.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.828 178.695 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 62.02 75.87 0.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.262 -0.881 . . . . 0.0 109.476 -178.574 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 20.3 m -127.82 -179.47 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.078 -179.245 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 7.2 mttp -91.15 55.95 3.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.951 0.405 . . . . 0.0 111.333 -179.737 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 62.9 mt -129.53 124.36 59.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.179 179.035 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -148.0 168.48 22.2 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.618 -179.545 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 34.2 tp -84.72 140.83 31.0 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.372 0.606 . . . . 0.0 111.332 179.697 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -79.6 144.34 33.92 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 177.752 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm -93.95 -29.88 15.03 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.623 -0.431 . . . . 0.0 111.428 -179.42 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 51.8 m -62.37 -36.23 81.63 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.161 179.993 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.5 153.72 38.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.878 -179.241 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.3 -76.5 0.53 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.308 -179.976 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -53.86 176.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.547 -179.157 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 89.1 mt -133.22 82.36 1.99 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.417 -0.811 . . . . 0.0 109.769 178.916 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -139.63 126.23 20.49 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.809 -179.138 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 28.5 pt -104.89 177.99 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.95 -179.802 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 7.8 p -93.14 165.2 12.94 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.369 179.515 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -64.31 -29.53 70.61 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.15 0.5 . . . . 0.0 110.259 179.744 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -56.73 -59.54 4.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.317 179.859 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 115' ' ' HIS . . . . . 0.436 ' ND1' HD12 ' A' ' 69' ' ' LEU . 15.9 m170 -66.23 -36.41 82.97 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.695 -179.425 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 12.1 ttpp -58.04 -53.03 62.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.146 0.498 . . . . 0.0 110.592 179.714 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 45.7 t30 -68.15 -35.38 77.98 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.219 -179.42 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.567 HD23 ' O ' ' A' ' 118' ' ' LEU . 2.1 tt -65.7 -41.99 91.72 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.631 -179.341 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.454 HD13 HG23 ' A' ' 89' ' ' ILE . 75.4 mt -86.14 -35.83 9.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 -177.99 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -73.35 -32.19 64.39 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 113.523 0.934 . . . . 0.0 113.523 -178.165 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.6 m -88.69 9.06 25.62 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 114.488 1.292 . . . . 0.0 114.488 -176.577 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 118' ' ' LEU . 84.8 t -93.67 -21.45 5.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 C-N-CA 120.269 -0.572 . . . . 0.0 110.562 178.869 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.443 ' NH2' ' HD3' ' A' ' 88' ' ' ARG . 30.4 mtm105 -102.38 48.73 0.86 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.148 0.499 . . . . 0.0 110.198 178.291 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 12.2 p-10 -101.07 100.14 10.68 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.536 -0.757 . . . . 0.0 110.501 179.873 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -125.64 -172.19 2.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.927 0.394 . . . . 0.0 111.364 -179.24 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 26.7 mtm-85 -84.61 -64.76 1.1 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.811 178.901 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 61.9 56.38 2.37 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.307 -0.86 . . . . 0.0 112.476 179.073 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 1.8 mtt85 -92.09 -10.12 40.15 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 177.457 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 16.4 mmtm 61.73 -94.33 0.04 OUTLIER 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.201 179.118 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 169.53 70.88 0.04 OUTLIER Glycine 0 N--CA 1.447 -0.628 0 N-CA-C 111.446 -0.662 . . . . 0.0 111.446 -179.419 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 4.5 m . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.134 -0.936 . . . . 0.0 110.646 -179.814 . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 28.3 m . . . . . 0 N--CA 1.481 1.086 0 N-CA-C 110.673 -0.121 . . . . 0.0 110.673 . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -90.23 -11.8 39.88 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 113.671 0.989 . . . . 0.0 113.671 -177.375 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -132.77 126.05 31.52 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 178.746 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.54 51.74 15.28 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.161 -1.019 . . . . 0.0 110.661 -178.229 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -59.95 169.09 1.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.023 0.439 . . . . 0.0 111.311 -178.829 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -115.75 155.28 28.07 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.025 -179.812 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 29.6 t -46.13 152.54 0.39 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.487 -179.813 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 25.1 p -114.18 18.64 16.95 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.377 179.796 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 72.2 mt -111.59 156.25 22.07 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 178.994 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.412 ' O ' ' HA ' ' A' ' 100' ' ' ILE . 37.0 mtt180 -120.02 128.97 54.02 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.774 0.321 . . . . 0.0 111.343 -179.42 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -109.41 107.92 18.26 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 178.762 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 59.48 36.13 22.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.724 -179.274 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 88.45 -15.09 57.88 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.81 -0.71 . . . . 0.0 113.097 179.639 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -89.64 135.86 33.37 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.044 0.449 . . . . 0.0 111.244 -179.64 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 6.9 tpp85 -77.3 67.53 3.26 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.556 -178.431 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 11.0 t 37.01 -101.5 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 178.357 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 138.34 -29.59 2.59 Favored Glycine 0 C--N 1.336 0.577 0 C-N-CA 120.425 -0.893 . . . . 0.0 112.234 -179.52 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 44.6 ttt180 -80.01 136.98 36.72 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 179.076 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.95 159.42 11.45 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.968 0.413 . . . . 0.0 111.57 -178.924 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.55 167.94 10.03 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.713 -179.443 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -132.51 -137.08 3.89 Favored Glycine 0 C--N 1.334 0.423 0 C-N-CA 120.539 -0.839 . . . . 0.0 113.804 -179.196 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -107.27 4.97 27.15 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 112.284 0.476 . . . . 0.0 112.284 -178.449 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.6 ' HB2' ' HD3' ' A' ' 116' ' ' LYS . . . -93.84 177.27 6.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.17 0.51 . . . . 0.0 111.595 -179.375 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 36.0 p -142.81 155.94 44.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.496 179.639 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -82.22 124.24 29.74 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 179.116 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 64.5 p -129.39 -175.92 3.73 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.12 0.486 . . . . 0.0 111.722 -179.052 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 16.7 ptmt -75.03 -38.69 61.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.013 179.17 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.55 -46.05 77.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.95 179.05 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.884 HG23 HG21 ' A' ' 119' ' ' ILE . 19.7 mt -60.8 -43.33 95.16 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 178.685 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -55.19 -49.12 72.71 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.009 -0.542 . . . . 0.0 109.826 178.885 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -57.06 -47.24 81.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.93 179.511 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.412 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 3.3 m -53.56 -52.95 58.1 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.178 -0.464 . . . . 0.0 109.806 178.944 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 66.3 mt -53.1 -55.34 12.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.257 179.066 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 40.6 t -49.58 -45.22 47.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.052 -179.941 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 44.4 tp60 -61.3 -42.31 98.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.05 179.591 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.412 ' HG3' ' O ' ' A' ' 92' ' ' SER . 3.4 mtpm? -71.16 -31.54 67.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.982 178.923 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 6.7 tptm 58.12 71.42 0.58 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.429 -178.515 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 29.2 m -127.81 169.85 18.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.257 -179.218 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -86.05 71.76 10.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.473 -179.713 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.412 ' HA ' ' O ' ' A' ' 70' ' ' ARG . 40.0 mt -142.15 104.07 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.463 179.339 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.2 pm0 -121.63 178.5 4.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.621 179.761 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.483 ' HG ' ' N ' ' A' ' 103' ' ' ASP . 0.6 OUTLIER -93.57 142.8 26.94 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.259 0.552 . . . . 0.0 112.198 -179.196 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.483 ' N ' ' HG ' ' A' ' 102' ' ' LEU . 11.3 t70 -82.48 129.6 34.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.391 -0.822 . . . . 0.0 108.889 177.559 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.423 ' HB2' ' HE3' ' A' ' 104' ' ' LYS . 43.3 mtmt -90.05 -16.1 30.43 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 121.014 -0.274 . . . . 0.0 111.734 -179.63 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.2 p -87.2 18.21 3.83 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.567 0.223 . . . . 0.0 111.007 179.576 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -88.21 175.15 7.82 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-O 121.288 0.566 . . . . 0.0 111.483 -179.736 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -131.12 1.85 4.26 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.298 -0.864 . . . . 0.0 111.306 179.557 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 29.7 p80 -149.96 164.35 35.69 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 120.868 0.366 . . . . 0.0 110.744 -179.466 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 93.8 mt -120.33 72.66 0.96 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.052 179.217 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -137.97 112.03 8.47 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.421 -179.927 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 32.7 pt -87.8 173.1 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.951 179.956 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 8.4 p -89.81 165.15 14.31 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.625 179.652 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.16 -38.9 88.11 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.09 0.471 . . . . 0.0 110.356 179.746 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.433 ' O ' ' HB2' ' A' ' 118' ' ' LEU . 85.6 t80 -49.68 -62.63 1.45 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.276 -179.755 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 13.7 m170 -64.57 -26.65 68.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.773 -179.062 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.6 ' HD3' ' HB2' ' A' ' 83' ' ' ALA . 13.4 ttpp -66.49 -54.66 21.43 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.863 -179.982 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -71.28 -27.47 63.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.127 -179.283 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.433 ' HB2' ' O ' ' A' ' 114' ' ' TYR . 3.1 tt -74.05 -43.44 57.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.692 -179.15 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.884 HG21 HG23 ' A' ' 89' ' ' ILE . 77.2 mt -84.35 -36.94 12.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 -178.075 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.429 ' HB2' ' O ' ' A' ' 116' ' ' LYS . 5.6 mt-30 -66.67 -34.3 77.56 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 -178.74 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 57.8 m -82.43 39.56 0.61 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 114.741 1.385 . . . . 0.0 114.741 -175.927 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.4 HG21 ' HE2' ' A' ' 96' ' ' LYS . 33.3 t -128.57 -41.48 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.025 0.441 . . . . 0.0 110.064 177.835 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 1.3 mtp-105 -133.37 70.1 1.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.897 177.777 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -126.78 73.9 1.44 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.84 -179.656 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -128.39 9.35 6.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.458 -179.99 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 15.8 ttt180 -120.2 70.01 0.87 Allowed 'General case' 0 N--CA 1.455 -0.211 0 CA-C-O 121.326 0.584 . . . . 0.0 110.23 179.421 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.83 -31.63 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.426 179.672 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -82.74 165.72 19.68 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 177.441 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 8.6 mtpp -88.01 -142.07 0.12 Allowed 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.358 -179.8 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 162.2 46.43 0.02 OUTLIER Glycine 0 C--N 1.338 0.665 0 N-CA-C 111.406 -0.678 . . . . 0.0 111.406 179.525 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 14.7 t . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.205 -0.903 . . . . 0.0 111.102 -179.528 . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.3 m . . . . . 0 N--CA 1.484 1.226 0 CA-C-O 120.471 0.177 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -75.0 52.9 0.57 Allowed 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 -178.318 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -144.26 70.67 1.29 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 178.685 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 144.29 81.09 0.05 OUTLIER Glycine 0 N--CA 1.449 -0.487 0 N-CA-C 110.851 -0.899 . . . . 0.0 110.851 -178.67 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -121.39 -165.83 1.29 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.046 0.45 . . . . 0.0 111.28 -178.755 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 79' ' ' ALA . 85.9 mt -131.61 145.56 51.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.6 179.666 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.453 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 36.8 t -48.69 139.13 9.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.808 179.735 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.49 ' HA ' ' NH1' ' A' ' 75' ' ' ARG . 52.8 m -109.41 31.93 5.39 Favored 'General case' 0 N--CA 1.462 0.127 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -178.715 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 94.2 mt -111.97 155.63 23.42 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 178.694 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.413 ' HA ' ' O ' ' A' ' 74' ' ' GLU . 11.8 mtp180 -123.95 108.27 12.23 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.773 0.321 . . . . 0.0 111.439 -179.761 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.423 ' O ' ' HB2' ' A' ' 74' ' ' GLU . 34.5 tt0 -99.87 113.19 25.56 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.156 179.164 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 52.04 46.08 27.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.016 0.436 . . . . 0.0 110.739 -179.353 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 78.99 0.47 82.34 Favored Glycine 0 CA--C 1.519 0.305 0 C-N-CA 120.881 -0.676 . . . . 0.0 113.346 179.396 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.423 ' HB2' ' O ' ' A' ' 71' ' ' GLU . 17.7 mm-40 -101.01 124.82 47.32 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 117.286 0.543 . . . . 0.0 111.509 -179.955 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.583 ' O ' ' N ' ' A' ' 77' ' ' GLY . 2.4 mmm180 -85.53 55.33 3.46 Favored 'General case' 0 C--O 1.223 -0.336 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.914 -179.914 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.453 ' HB3' ' HB3' ' A' ' 67' ' ' CYS . 0.5 OUTLIER 39.23 -73.27 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 179.923 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.583 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 96.81 -24.46 30.92 Favored Glycine 0 N--CA 1.449 -0.46 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 -179.144 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 37.7 ttt180 -69.96 143.63 52.59 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.424 -0.388 . . . . 0.0 110.553 179.433 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.433 ' HA ' HD23 ' A' ' 66' ' ' LEU . . . -62.15 148.63 43.87 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.623 -179.613 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.86 154.37 41.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.639 178.789 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -131.68 -151.86 7.02 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 119.816 -1.183 . . . . 0.0 113.936 -178.831 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -85.25 60.26 6.13 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.06 -0.57 . . . . 0.0 111.282 -178.792 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.835 ' HB2' ' HD3' ' A' ' 116' ' ' LYS . . . -151.67 164.97 35.79 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.209 179.938 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.3 m -140.2 165.58 27.0 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.318 179.866 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -96.82 94.67 7.39 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 178.853 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 64.0 p -100.05 -170.38 1.87 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.141 -179.27 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.26 -43.46 33.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.461 178.688 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -51.45 -36.7 45.18 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 120.99 0.424 . . . . 0.0 110.029 179.981 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.812 HG23 HG21 ' A' ' 119' ' ' ILE . 26.2 mt -69.68 -43.29 80.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.696 178.788 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -58.45 -37.64 75.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.98 179.095 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.52 -46.0 64.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.851 179.322 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.462 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 8.2 t -54.94 -37.95 67.1 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.563 179.014 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 79.7 mt -73.63 -41.94 55.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.523 179.079 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.21 -36.17 72.72 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.261 -179.863 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -77.63 -25.86 50.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.815 0.341 . . . . 0.0 110.436 179.778 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.462 ' HG3' ' O ' ' A' ' 92' ' ' SER . 1.4 mtpp -81.94 -49.72 9.97 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.263 178.806 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.417 ' HB2' ' O ' ' A' ' 96' ' ' LYS . 49.4 mmtt 70.46 72.72 0.21 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.372 -178.012 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 16.0 m -122.51 174.02 7.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.507 -0.769 . . . . 0.0 111.53 -179.154 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 5.8 mttm -83.85 57.08 3.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.674 -179.6 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 79.4 mt -121.32 135.83 60.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.318 179.236 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -154.59 179.92 8.59 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.643 179.465 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 5.1 tp -110.48 135.44 51.16 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.158 0.504 . . . . 0.0 111.705 -179.714 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -83.66 144.39 29.44 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 177.969 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 3.8 mmmp? -96.71 -6.57 36.08 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -178.645 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 21.5 p -82.73 3.45 29.19 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 121.124 -0.23 . . . . 0.0 111.104 179.301 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -74.61 -158.91 0.08 Allowed 'General case' 0 N--CA 1.456 -0.15 0 CA-C-O 120.994 0.426 . . . . 0.0 111.548 -179.292 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -159.36 21.93 0.19 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.362 179.355 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 16.0 p80 -174.74 175.74 2.38 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 120.977 0.417 . . . . 0.0 110.871 -178.405 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 54.2 mt -126.63 66.05 1.25 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.162 179.31 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 55.7 m-85 -128.83 100.33 5.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.328 179.877 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 36.9 pt -81.74 173.44 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.938 179.864 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 20.9 p -84.97 176.0 8.72 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.585 179.616 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -73.03 -37.53 66.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.972 0.415 . . . . 0.0 110.441 179.421 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -48.42 -57.86 5.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.193 -179.99 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 15.2 m80 -66.89 -37.12 83.8 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -179.294 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.835 ' HD3' ' HB2' ' A' ' 83' ' ' ALA . 13.7 ttpp -56.01 -52.64 63.5 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.962 0.411 . . . . 0.0 110.271 179.672 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -65.11 -45.99 82.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.846 179.805 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.644 HD23 ' O ' ' A' ' 118' ' ' LEU . 3.3 tt -56.53 -44.82 81.19 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.946 -179.125 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.812 HG21 HG23 ' A' ' 89' ' ' ILE . 77.5 mt -79.16 -49.78 19.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 -177.932 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -64.08 -19.75 65.46 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 -178.405 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 8.4 t -91.15 43.42 1.14 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 114.429 1.27 . . . . 0.0 114.429 -176.537 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.421 HG11 ' HZ2' ' A' ' 96' ' ' LYS . 57.1 t -126.53 -46.01 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 177.759 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 35.3 mtp180 -98.13 61.31 1.48 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.189 0.518 . . . . 0.0 109.782 178.566 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -72.85 58.47 0.46 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.15 179.914 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -110.41 -32.38 6.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.415 -179.503 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 3.9 mtm105 -139.98 -156.81 0.71 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.702 -179.769 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 4.8 mptt 72.46 17.06 4.81 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.03 0.382 . . . . 0.0 112.03 178.643 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.484 ' O ' ' N ' ' A' ' 130' ' ' GLY . 0.0 OUTLIER -132.06 -79.5 0.51 Allowed 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 178.605 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? 35.37 -86.58 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -179.985 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 130' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 128' ' ' ARG . . . -177.05 105.27 0.2 Allowed Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 121.062 -0.589 . . . . 0.0 111.81 -179.754 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 30.0 t . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.174 -0.917 . . . . 0.0 110.778 -179.672 . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.727 0.299 . . . . 0.0 111.102 . . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -92.02 52.47 1.99 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.136 0.493 . . . . 0.0 110.474 179.583 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -165.89 119.14 1.13 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.085 179.535 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 175.42 -84.29 0.07 OUTLIER Glycine 0 CA--C 1.506 -0.524 0 C-N-CA 120.528 -0.844 . . . . 0.0 112.945 -179.335 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -89.42 -168.98 2.32 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-N 114.569 -0.816 . . . . 0.0 111.227 -179.717 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.485 ' HA ' ' HA ' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -136.36 168.86 18.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.19 -0.459 . . . . 0.0 112.081 179.893 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 48.3 t -79.09 145.72 33.63 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.934 -179.624 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 28.3 p -109.81 30.3 6.81 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -179.157 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.491 HD12 ' CG ' ' A' ' 115' ' ' HIS . 55.3 mt -109.86 159.53 17.15 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 177.8 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.401 ' HA ' ' O ' ' A' ' 74' ' ' GLU . 27.8 mtm180 -122.06 113.91 20.2 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.499 -0.318 . . . . 0.0 111.281 -179.747 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -105.27 103.2 12.69 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 178.864 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 64.97 48.66 2.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.559 -179.244 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 71.54 3.11 53.06 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.857 -0.687 . . . . 0.0 113.253 179.745 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.401 ' O ' ' HA ' ' A' ' 70' ' ' ARG . 5.7 mm-40 -105.14 134.35 48.38 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 117.16 0.48 . . . . 0.0 111.396 -179.838 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.47 ' O ' ' N ' ' A' ' 77' ' ' GLY . 0.0 OUTLIER -77.38 60.02 1.95 Allowed 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.34 -179.378 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 5.7 t 44.14 -80.93 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 178.948 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 108.16 -26.89 15.57 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.578 -0.82 . . . . 0.0 111.695 -178.896 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 30.3 ttt85 -78.63 134.37 37.17 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 179.152 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.485 ' HA ' ' HA ' ' A' ' 66' ' ' LEU . . . -56.34 158.91 3.89 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.873 0.368 . . . . 0.0 111.888 -178.75 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.41 160.94 31.02 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.138 -179.884 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -122.32 -126.27 3.19 Favored Glycine 0 C--N 1.333 0.363 0 C-N-CA 120.344 -0.931 . . . . 0.0 114.083 -178.943 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -107.5 -36.11 6.56 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -178.11 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.77 154.85 35.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.033 0.444 . . . . 0.0 111.659 -179.353 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 28.8 p -122.36 167.72 12.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.508 179.449 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -90.15 110.23 21.26 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.758 179.144 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 59.8 p -118.42 -158.15 0.71 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.336 -178.809 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.41 ' O ' ' HB3' ' A' ' 90' ' ' GLN . 1.4 mttp -79.89 -51.51 9.03 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-O 121.371 0.605 . . . . 0.0 111.524 179.362 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -51.81 -43.43 63.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.103 -179.056 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 9.8 mt -64.56 -36.69 78.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 C-N-CA 120.662 -0.415 . . . . 0.0 109.95 179.128 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.41 ' HB3' ' O ' ' A' ' 87' ' ' LYS . 0.9 OUTLIER -64.48 -52.71 56.53 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-O 121.555 0.693 . . . . 0.0 109.27 178.785 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.404 ' HG2' ' OE1' ' A' ' 90' ' ' GLN . 1.1 mmmp? -55.6 -42.84 75.42 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 114.599 -1.182 . . . . 0.0 110.121 179.064 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.432 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 3.2 m -58.77 -50.95 72.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.723 178.595 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 85.4 mt -61.5 -31.37 50.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.396 179.262 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.414 ' O ' ' HG2' ' A' ' 97' ' ' LYS . 2.6 t -62.98 -49.5 74.45 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.36 -179.958 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -68.5 -30.81 69.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.034 0.445 . . . . 0.0 110.196 179.793 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.647 ' HZ3' HG11 ' A' ' 122' ' ' VAL . 15.1 mtpp -72.81 -39.18 66.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.613 179.45 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.414 ' HG2' ' O ' ' A' ' 94' ' ' SER . 9.1 mmtp 57.95 70.49 0.65 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.809 -178.844 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 15.4 m -124.81 159.24 31.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.048 -179.36 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 3.6 mttp -72.46 59.57 0.44 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.856 0.36 . . . . 0.0 111.233 -179.895 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 53.6 mt -138.1 109.48 5.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.968 179.599 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -139.07 166.34 24.76 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.338 179.714 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -80.61 143.28 33.26 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.935 -179.199 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -99.47 117.52 34.06 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 178.089 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 20.6 mtmm -75.72 -19.2 59.26 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 111.746 0.276 . . . . 0.0 111.746 -178.768 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 57.5 p -83.6 7.81 16.16 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 121.228 -0.189 . . . . 0.0 111.33 179.679 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.406 ' O ' ' HB2' ' A' ' 107' ' ' ARG . . . -75.43 -99.85 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 111.63 0.233 . . . . 0.0 111.63 -179.476 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.406 ' HB2' ' O ' ' A' ' 106' ' ' ALA . 35.1 ttt-85 176.08 -63.36 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.179 0 CA-C-O 121.217 0.532 . . . . 0.0 110.616 -178.804 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 27.2 p80 -115.54 -155.34 0.57 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.659 -179.078 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 67.7 mt -126.48 -118.76 0.26 Allowed 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 178.651 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 55.73 97.82 0.02 OUTLIER 'General case' 0 C--N 1.34 0.192 0 CA-C-O 120.985 0.421 . . . . 0.0 111.727 179.35 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 28.6 pt -88.01 155.68 3.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.408 179.35 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 16.1 p -74.18 164.09 27.04 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.73 179.818 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -64.37 -32.98 74.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.102 0.477 . . . . 0.0 110.229 179.566 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -52.59 -56.48 15.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.296 179.937 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 115' ' ' HIS . . . . . 0.491 ' CG ' HD12 ' A' ' 69' ' ' LEU . 14.7 m80 -68.96 -38.77 79.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.663 -179.383 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 16.1 ttpp -52.76 -52.54 56.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.103 0.478 . . . . 0.0 110.56 179.753 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -68.95 -45.15 71.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.356 -179.466 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.535 HD23 ' O ' ' A' ' 118' ' ' LEU . 5.8 tt -55.74 -35.93 66.7 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.719 -179.43 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 87.5 mt -92.56 -39.92 11.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 113.21 0.818 . . . . 0.0 113.21 -177.971 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -73.02 -41.85 63.81 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 -177.937 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.4 t -92.28 37.43 0.99 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 -175.014 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.647 HG11 ' HZ3' ' A' ' 96' ' ' LYS . 55.3 t -97.78 -47.54 12.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 177.297 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -107.95 -19.22 13.58 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.636 177.085 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 58.4 56.09 4.58 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 -178.964 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.86 116.76 16.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.996 -178.645 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 19.6 mtp85 -147.99 173.8 12.54 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.837 178.873 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 6.8 ttmm -77.21 158.72 30.17 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.791 0.329 . . . . 0.0 110.905 -179.581 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.64 139.39 49.08 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.176 179.353 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.68 -5.8 0.81 Allowed 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.422 0.526 . . . . 0.0 112.422 179.366 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 155.1 -24.04 0.6 Allowed Glycine 0 N--CA 1.447 -0.574 0 N-CA-C 111.345 -0.702 . . . . 0.0 111.345 -178.948 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 13.3 t . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.248 -0.882 . . . . 0.0 111.049 179.566 . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.488 1.43 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 . . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 13.6 p30 -154.83 -26.3 0.12 Allowed 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 179.135 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -136.37 100.88 4.5 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 177.654 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 101.14 52.08 1.1 Allowed Glycine 0 N--CA 1.452 -0.261 0 N-CA-C 110.623 -0.991 . . . . 0.0 110.623 -178.041 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.426 HE21 ' HB3' ' A' ' 80' ' ' ALA . 3.0 mt-30 -96.95 172.3 7.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.068 0.461 . . . . 0.0 111.639 -178.3 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 42.9 mt -135.73 137.5 41.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.717 179.968 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.401 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 44.3 t -40.69 147.01 0.13 Allowed 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.357 179.665 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 21.8 m -110.48 30.21 7.0 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -179.085 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 74.0 mt -113.55 141.38 47.23 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 178.342 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.44 ' NH2' ' HA2' ' A' ' 73' ' ' GLY . 55.9 mtp180 -109.61 114.29 27.78 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.943 0.402 . . . . 0.0 111.649 -179.21 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -96.69 104.64 16.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.911 179.155 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 57.0 42.28 26.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.032 0.444 . . . . 0.0 110.511 -179.468 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.44 ' HA2' ' NH2' ' A' ' 70' ' ' ARG . . . 84.15 0.96 89.67 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.772 -0.728 . . . . 0.0 113.129 179.921 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -104.15 123.87 48.06 Favored 'General case' 0 CA--C 1.521 -0.14 0 CA-C-N 117.121 0.46 . . . . 0.0 111.273 179.95 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' A' ' 77' ' ' GLY . 1.8 mmm-85 -75.16 60.49 1.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.471 -179.139 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.401 ' HB3' ' HB3' ' A' ' 67' ' ' CYS . 18.7 t 39.81 -82.37 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 179.008 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 115.31 -31.34 6.26 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.803 -0.713 . . . . 0.0 111.723 -179.383 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.415 ' HD3' ' HB2' ' A' ' 112' ' ' CYS . 11.8 ttt85 -67.14 144.24 56.16 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 179.645 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.41 160.96 7.96 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.778 0.323 . . . . 0.0 111.154 -179.863 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.426 ' HB3' HE21 ' A' ' 65' ' ' GLN . . . -79.53 145.14 33.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 109.989 178.971 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -104.32 -137.01 9.05 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.442 -0.885 . . . . 0.0 114.032 -178.442 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -110.34 2.81 19.31 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -178.354 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.444 ' HB2' ' CD ' ' A' ' 116' ' ' LYS . . . -88.66 168.88 12.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.032 0.444 . . . . 0.0 111.69 -179.486 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.3 m -129.37 162.15 28.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.369 179.702 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -98.15 117.38 32.39 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 178.942 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 68.0 p -122.99 -164.46 1.2 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.252 -179.11 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.49 ' HD3' ' N ' ' A' ' 87' ' ' LYS . 0.3 OUTLIER -80.71 -40.53 25.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.433 179.092 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.54 -38.37 71.77 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.889 -179.96 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.65 HG23 HG21 ' A' ' 119' ' ' ILE . 29.7 mt -71.54 -40.51 71.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.148 179.16 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.08 -37.79 86.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.803 178.878 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.54 -47.86 65.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.755 179.306 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 14.0 t -55.14 -40.83 71.02 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.966 178.975 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.41 HD11 HD13 ' A' ' 119' ' ' ILE . 96.9 mt -67.76 -44.1 85.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.139 179.021 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 36.5 m -57.38 -53.86 53.37 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.081 -179.962 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 21.1 tp60 -63.21 -37.84 88.82 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 179.574 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 8.4 mtpp -56.34 -39.33 72.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.019 178.844 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 10.9 mttt 67.1 78.23 0.25 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.618 -179.035 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 14.0 m -142.54 -178.18 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.108 -179.17 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 33.1 mttm -103.9 68.44 0.91 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.966 0.412 . . . . 0.0 111.486 -179.768 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 40.0 mt -142.46 103.92 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.218 179.166 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -125.16 159.09 32.34 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.444 179.533 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.407 HD23 ' HE3' ' A' ' 104' ' ' LYS . 2.7 tp -76.67 132.88 39.63 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.097 0.475 . . . . 0.0 111.811 -179.563 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -80.9 113.18 18.93 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 178.094 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.407 ' HE3' HD23 ' A' ' 102' ' ' LEU . 3.1 mmpt? -71.82 -12.01 61.08 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -178.944 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 78.5 p -94.59 31.99 1.68 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.781 0.324 . . . . 0.0 110.717 179.703 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -103.0 -152.47 0.45 Allowed 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.382 -179.602 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.4 ' HB2' ' CZ ' ' A' ' 107' ' ' ARG . 0.0 OUTLIER -134.03 -76.75 0.47 Allowed 'General case' 0 N--CA 1.456 -0.172 0 CA-C-O 121.189 0.518 . . . . 0.0 111.37 -179.843 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 29.9 p80 -86.89 175.77 8.01 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.582 -0.735 . . . . 0.0 112.05 -178.752 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 39.8 mt -120.74 70.27 0.9 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.857 178.989 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -135.04 117.42 15.7 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.799 -179.418 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 25.5 pt -92.33 172.38 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.956 -179.887 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 112' ' ' CYS . . . . . 0.415 ' HB2' ' HD3' ' A' ' 78' ' ' ARG . 8.2 p -88.09 168.07 13.11 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.516 179.661 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -65.66 -35.7 81.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.027 0.442 . . . . 0.0 110.474 179.62 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -55.49 -61.22 2.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.18 -179.964 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 14.4 m170 -65.91 -26.96 67.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.763 -179.395 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.444 ' CD ' ' HB2' ' A' ' 83' ' ' ALA . 15.7 ttpp -67.19 -53.69 28.03 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.954 0.407 . . . . 0.0 110.559 179.669 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -68.45 -26.8 65.68 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.031 -179.589 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.534 ' O ' HG23 ' A' ' 122' ' ' VAL . 6.9 tt -75.21 -46.38 34.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.776 -179.354 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.65 HG21 HG23 ' A' ' 89' ' ' ILE . 64.1 mt -81.15 -45.58 20.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -178.142 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.406 ' HB2' ' O ' ' A' ' 116' ' ' LYS . 17.5 mt-30 -59.09 -37.43 77.11 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 -178.66 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 10.1 t -107.98 62.23 0.61 Allowed 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 114.419 1.266 . . . . 0.0 114.419 -176.342 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 118' ' ' LEU . 85.9 t -146.03 -33.65 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 120.668 0.271 . . . . 0.0 110.843 177.863 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 16.7 mmm-85 -97.41 28.12 3.88 Favored 'General case' 0 CA--C 1.529 0.163 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 177.769 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 9.7 p-10 -126.43 -4.8 6.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.927 -0.579 . . . . 0.0 112.095 -178.288 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 -117.29 177.17 4.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.197 0.522 . . . . 0.0 111.504 -179.296 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 15.0 mtm105 -145.68 28.42 1.17 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.095 178.897 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 5.8 ttpp 64.55 49.55 2.36 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.58 -0.736 . . . . 0.0 112.041 179.372 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 8.5 ttm-85 -56.63 -29.71 62.51 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 178.359 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 63.0 -85.65 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.646 -179.354 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -131.23 -62.98 0.09 OUTLIER Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.861 -0.685 . . . . 0.0 111.868 179.931 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 28.8 m . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.184 -0.912 . . . . 0.0 111.314 179.854 . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 041 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 38.3 m . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.796 0.331 . . . . 0.0 111.743 . . . . . . . . . 0 0 . 1 . 041 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -170.32 30.96 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.29 0.567 . . . . 0.0 110.675 178.278 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -143.29 147.29 34.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.161 -0.927 . . . . 0.0 108.891 178.976 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.89 47.56 5.82 Favored Glycine 0 N--CA 1.45 -0.407 0 N-CA-C 110.561 -1.016 . . . . 0.0 110.561 -178.135 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -71.27 -179.27 2.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.289 -0.455 . . . . 0.0 111.3 -178.784 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 52.2 mt -108.79 150.61 27.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.987 -179.966 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 46.9 t -51.84 144.55 11.19 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.864 179.627 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 27.6 p -106.35 20.78 18.46 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.849 0.357 . . . . 0.0 111.902 -179.64 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 88.4 mt -115.41 155.83 26.7 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 178.632 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 46.8 mtp180 -121.45 129.88 53.24 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.873 0.368 . . . . 0.0 111.291 -179.277 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -107.74 94.06 4.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.781 178.846 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 67.75 51.45 0.8 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.282 -179.039 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 72.68 9.15 74.02 Favored Glycine 0 N--CA 1.451 -0.356 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.981 179.936 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -109.35 120.22 41.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.948 0.404 . . . . 0.0 111.014 -179.378 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 77' ' ' GLY . 20.7 mmm-85 -76.06 60.12 1.39 Allowed 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.67 -178.813 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 35.42 -85.56 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 113.801 1.037 . . . . 0.0 113.801 179.291 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 113.16 -29.35 8.06 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.705 -0.76 . . . . 0.0 111.822 -177.945 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 45.1 ttt85 -72.53 136.19 45.81 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.742 0.306 . . . . 0.0 110.485 179.435 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -50.46 157.02 0.77 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.003 0.43 . . . . 0.0 111.926 -179.327 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -86.13 147.13 26.29 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.135 178.988 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -107.98 -128.73 5.89 Favored Glycine 0 CA--C 1.518 0.267 0 C-N-CA 120.462 -0.875 . . . . 0.0 113.82 -178.694 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -108.74 15.11 23.89 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -178.852 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.446 ' HB2' ' HD3' ' A' ' 116' ' ' LYS . . . -100.62 154.77 18.3 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.058 0.456 . . . . 0.0 111.801 -179.431 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 28.6 p -119.51 -168.35 1.57 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.007 179.204 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -123.47 144.16 49.7 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.973 179.522 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 85.7 p -146.72 -174.54 4.5 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.022 0.439 . . . . 0.0 111.327 -179.292 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.406 ' HE3' ' HA ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -78.03 -39.86 40.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.735 178.849 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -54.29 -37.01 64.29 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.287 179.318 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.957 HG23 HG21 ' A' ' 119' ' ' ILE . 50.3 mt -72.65 -34.76 48.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.971 179.151 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -68.3 -36.89 80.04 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 121.473 0.654 . . . . 0.0 109.405 178.545 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.39 -44.97 77.58 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 114.86 -1.064 . . . . 0.0 109.941 179.512 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 25.1 t -61.9 -42.79 99.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.862 179.011 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 89' ' ' ILE . 97.0 mt -61.83 -41.47 90.82 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.122 179.031 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 53.9 m -59.5 -41.1 89.08 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 10.2 tp60 -64.7 -33.99 77.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.984 0.421 . . . . 0.0 110.08 179.209 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.605 ' HE2' HG21 ' A' ' 122' ' ' VAL . 1.0 OUTLIER -74.85 -31.87 61.76 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.007 178.965 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 39.4 mmtt 61.46 69.86 0.63 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.563 -178.529 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 34.5 m -134.66 176.34 9.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.58 -0.737 . . . . 0.0 111.202 -179.222 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.7 mttm -94.5 75.27 3.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.253 -179.928 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 68.2 mt -144.79 99.22 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.492 179.307 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -139.79 165.16 28.04 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.312 179.686 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.9 135.87 40.12 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.179 0.514 . . . . 0.0 111.829 -179.172 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -86.55 123.14 31.43 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.096 178.411 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.9 mmmp? -67.14 -7.63 24.87 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -179.316 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 89.0 p -72.08 -26.23 62.07 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 120.593 0.235 . . . . 0.0 111.632 179.995 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -80.33 -164.06 0.64 Allowed 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -179.096 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.432 ' HB3' ' NH1' ' A' ' 107' ' ' ARG . 10.1 mtm105 -146.09 -61.96 0.32 Allowed 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.948 179.683 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 22.8 p80 -61.75 172.82 1.16 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.891 -178.971 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 83.5 mt -125.75 81.82 2.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.186 179.184 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -144.72 128.24 17.03 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.24 179.998 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 21.5 pt -118.55 163.48 15.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.908 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 8.3 p -82.38 160.63 22.75 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.464 179.559 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -60.85 -33.98 73.89 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.09 0.471 . . . . 0.0 110.199 179.924 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.428 ' O ' ' HB2' ' A' ' 118' ' ' LEU . 53.5 t80 -49.75 -54.43 18.98 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.003 179.904 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 18.1 m170 -76.69 -37.25 56.48 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -179.245 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.446 ' HD3' ' HB2' ' A' ' 83' ' ' ALA . 7.5 ttpp -55.61 -44.91 77.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.075 0.464 . . . . 0.0 110.658 -179.967 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -79.65 -37.58 35.66 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.231 -178.806 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.662 HD23 ' O ' ' A' ' 118' ' ' LEU . 6.0 tt -61.45 -31.71 71.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.279 179.977 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.957 HG21 HG23 ' A' ' 89' ' ' ILE . 89.9 mt -92.27 -52.96 9.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 -178.321 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -52.86 -40.06 63.1 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 113.682 0.993 . . . . 0.0 113.682 -178.125 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' A' ' 124' ' ' ASN . 80.4 p -74.77 24.16 0.09 Allowed 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 115.135 1.532 . . . . 0.0 115.135 -175.81 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.605 HG21 ' HE2' ' A' ' 96' ' ' LYS . 97.7 t -103.62 -29.95 2.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 118.465 0.575 . . . . 0.0 109.853 177.959 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 15.7 mtm180 -123.44 12.41 9.38 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.516 178.275 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 124' ' ' ASN . . . . . 0.406 ' O ' ' HA ' ' A' ' 121' ' ' SER . 22.5 t-20 -159.96 99.62 1.38 Allowed 'General case' 0 CA--C 1.528 0.098 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 179.922 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 28.8 mtm-85 -76.28 -177.25 3.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.197 0.523 . . . . 0.0 112.272 -178.796 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.39 -31.99 18.58 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.819 178.957 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.58 172.77 0.06 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.521 179.191 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 4.4 mtt-85 54.04 -168.83 0.06 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.157 179.121 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.405 ' HD3' ' O ' ' A' ' 129' ' ' LYS . 0.3 OUTLIER -144.46 -37.24 0.31 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.006 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 161.6 167.21 21.71 Favored Glycine 0 N--CA 1.446 -0.64 0 N-CA-C 111.49 -0.644 . . . . 0.0 111.49 179.455 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 13.3 t . . . . . 0 C--O 1.251 1.149 0 CA-C-O 118.296 -0.859 . . . . 0.0 110.744 179.705 . . . . . . . . 0 0 . 1 . 041 nuclear build full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 042 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.9 m . . . . . 0 N--CA 1.485 1.314 0 CA-C-O 120.405 0.145 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 042 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -153.63 90.48 1.4 Allowed 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 120.929 0.395 . . . . 0.0 111.045 -179.856 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -83.85 135.3 34.56 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 178.188 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 88.32 63.4 1.37 Allowed Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.337 -0.935 . . . . 0.0 110.931 -178.338 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -88.03 -172.27 3.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.021 0.439 . . . . 0.0 111.371 -178.854 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 28.2 mt -117.97 169.56 9.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.973 -179.813 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.456 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 13.8 t -66.41 150.57 48.7 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.099 -179.924 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 20.6 p -105.98 -5.41 19.59 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.67 -0.241 . . . . 0.0 111.515 179.48 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 86.3 mt -95.04 153.93 17.41 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 178.969 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 52.9 mtp180 -124.25 125.22 44.03 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.939 -179.73 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -101.93 107.46 18.62 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.979 0.419 . . . . 0.0 110.334 179.439 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 58.97 44.55 16.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.954 -179.575 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 85.71 -19.34 25.27 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.786 -0.721 . . . . 0.0 113.058 179.674 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -82.5 121.32 26.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.85 0.325 . . . . 0.0 111.009 -179.749 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.558 ' O ' ' N ' ' A' ' 77' ' ' GLY . 1.2 mmm180 -76.53 58.96 1.42 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.316 -179.524 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.456 ' HB3' ' HB3' ' A' ' 67' ' ' CYS . 0.8 OUTLIER 40.22 -75.35 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 179.734 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.558 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 100.13 -25.35 28.63 Favored Glycine 0 N--CA 1.448 -0.515 0 N-CA-C 111.297 -0.721 . . . . 0.0 111.297 -178.939 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 45.8 ttt180 -69.06 147.55 51.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.812 0.339 . . . . 0.0 110.39 179.693 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.28 144.97 52.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.735 -179.316 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.38 152.53 44.87 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.01 179.115 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -114.51 -164.44 14.86 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.403 -0.903 . . . . 0.0 113.631 -178.93 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -84.85 13.15 6.19 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.637 -0.281 . . . . 0.0 111.747 -179.251 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -107.55 149.32 28.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.995 0.426 . . . . 0.0 111.278 179.936 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -125.59 134.47 51.92 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.71 179.77 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -49.1 112.65 0.66 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.15 179.11 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 11.6 p -115.19 -169.48 1.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.56 -178.63 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.426 ' NZ ' ' HB2' ' A' ' 87' ' ' LYS . 0.9 OUTLIER -77.26 -50.24 13.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.031 179.485 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.94 -39.31 62.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.661 -179.946 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 8.0 mt -66.92 -39.19 82.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 178.873 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 8.1 tm0? -59.72 -47.19 86.64 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.784 178.83 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.3 -41.73 97.48 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.006 179.488 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.421 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 27.2 t -57.67 -49.13 77.51 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 178.736 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 62.2 mt -57.02 -43.08 80.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.38 179.071 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.1 m -63.19 -37.8 88.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.157 -179.865 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -77.59 -37.06 51.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.945 0.403 . . . . 0.0 110.035 179.28 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.754 ' HE2' HG11 ' A' ' 122' ' ' VAL . 5.3 mtpm? -67.68 -38.01 83.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.148 178.9 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.25 78.43 0.25 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.633 -178.411 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 15.4 m -136.33 175.85 9.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.954 -179.354 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 12.9 mttm -88.92 70.35 8.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.934 0.397 . . . . 0.0 111.239 -179.701 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 45.2 mt -141.5 112.93 3.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.367 179.214 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -129.43 168.96 15.54 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.419 -179.702 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -95.92 118.51 32.69 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.112 0.482 . . . . 0.0 112.064 -179.544 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -69.55 129.82 40.75 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 177.897 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 5.1 mtpt -83.05 -10.41 58.74 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.875 -0.33 . . . . 0.0 111.804 -179.47 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 25.9 m -64.35 -35.87 82.27 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.857 0.361 . . . . 0.0 111.127 179.938 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.4 164.44 11.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.2 0.524 . . . . 0.0 112.095 -179.053 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 2.3 ttm-85 -116.85 -22.56 8.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.091 179.666 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 24.7 p80 -109.78 156.18 20.65 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.112 0.482 . . . . 0.0 111.726 -178.8 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 81.1 mt -115.48 79.99 1.37 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.82 178.886 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -141.09 98.0 3.29 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.126 -179.647 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 30.9 pt -77.91 164.45 3.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.896 -179.925 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 25.1 p -82.05 172.87 12.73 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.396 179.578 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -72.25 -33.28 67.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.208 0.528 . . . . 0.0 110.08 179.691 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.409 ' O ' ' HB2' ' A' ' 118' ' ' LEU . 59.1 t80 -50.63 -61.45 2.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.4 -179.954 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -67.36 -32.95 74.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.991 -179.109 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 13.7 ttpp -59.22 -54.29 48.64 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.947 0.403 . . . . 0.0 110.811 -179.937 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -67.0 -39.54 87.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.959 -179.825 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.409 ' HB2' ' O ' ' A' ' 114' ' ' TYR . 2.4 tt -60.91 -39.81 90.77 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.777 -179.116 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 66.2 mt -88.54 -38.34 11.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 113.334 0.865 . . . . 0.0 113.334 -177.809 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -70.81 -36.28 72.88 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 -178.289 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.7 m -86.37 21.56 2.06 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 114.82 1.415 . . . . 0.0 114.82 -176.126 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.754 HG11 ' HE2' ' A' ' 96' ' ' LYS . 58.2 t -108.09 -14.97 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 C-N-CA 120.376 -0.53 . . . . 0.0 110.82 178.201 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 17.8 mtp180 -115.8 -11.87 11.54 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.211 177.951 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 11.7 t30 -144.51 67.87 1.26 Allowed 'General case' 0 CA--C 1.529 0.14 0 N-CA-C 109.851 -0.425 . . . . 0.0 109.851 179.892 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.4 ttp-105 -82.14 -86.88 0.1 Allowed 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.737 -178.773 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 7.2 ttm180 -128.27 -63.26 1.0 Allowed 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 179.547 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 8.9 mttp 67.37 20.28 9.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.418 -0.81 . . . . 0.0 112.192 179.058 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 48.2 -148.9 0.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.222 178.955 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 22.2 ttmt -138.11 9.46 2.77 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.656 -0.418 . . . . 0.0 111.33 178.077 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -138.79 -117.86 1.55 Allowed Glycine 0 C--N 1.335 0.522 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.495 179.852 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 131' ' ' SER . . . . . 0.406 ' O ' ' OG ' ' A' ' 131' ' ' SER . 25.1 p . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.615 -0.707 . . . . 0.0 110.956 -179.823 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 043 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 90.8 p . . . . . 0 N--CA 1.482 1.127 0 CA-C-O 121.611 0.72 . . . . 0.0 111.75 . . . . . . . . . 0 0 . 1 . 043 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -144.51 17.82 1.68 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.847 -1.07 . . . . 0.0 110.303 179.043 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -133.91 42.76 2.9 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 179.351 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -134.09 66.93 0.56 Allowed Glycine 0 N--CA 1.45 -0.409 0 CA-C-N 115.513 -0.767 . . . . 0.0 112.036 -179.955 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -124.73 176.78 6.36 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.818 0.342 . . . . 0.0 110.675 -179.801 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -128.43 145.25 51.15 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.243 0.544 . . . . 0.0 111.755 179.52 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 47.9 t -46.07 138.64 5.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.156 -0.929 . . . . 0.0 111.525 -179.67 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 19.6 p -99.68 25.36 7.24 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.355 -179.957 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.486 HD12 ' ND1' ' A' ' 115' ' ' HIS . 81.5 mt -111.34 148.01 33.9 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 178.944 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.45 ' HG2' ' HD3' ' A' ' 75' ' ' ARG . 61.1 mtp180 -114.04 108.39 16.94 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.515 -0.312 . . . . 0.0 111.321 -179.554 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -92.68 120.02 32.67 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 178.92 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 55.61 25.52 8.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.665 -179.066 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 95.51 -16.82 60.49 Favored Glycine 0 C--N 1.332 0.36 0 C-N-CA 120.949 -0.643 . . . . 0.0 113.257 179.361 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -88.4 140.78 29.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.043 0.449 . . . . 0.0 111.485 -179.564 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.473 ' O ' ' N ' ' A' ' 77' ' ' GLY . 1.0 OUTLIER -72.85 61.35 0.55 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.987 -178.722 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 5.2 t 45.19 -82.14 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 178.829 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 114.52 -24.07 11.6 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.127 -179.263 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 16.3 ttt180 -89.23 140.44 29.47 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.333 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.11 151.87 34.45 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.016 0.436 . . . . 0.0 111.745 -178.778 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.78 163.09 5.96 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.389 -179.757 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -124.65 -145.54 6.64 Favored Glycine 0 C--N 1.333 0.396 0 C-N-CA 120.505 -0.855 . . . . 0.0 113.872 -179.034 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.443 ' N ' ' OD1' ' A' ' 82' ' ' ASN . 0.7 OUTLIER -95.0 -13.88 24.85 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -178.41 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.439 ' HB2' ' HD3' ' A' ' 116' ' ' LYS . . . -81.18 164.14 22.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.213 0.53 . . . . 0.0 111.979 -179.174 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -130.33 165.38 22.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.2 179.62 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -95.99 136.98 35.71 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.107 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -145.14 -162.5 1.51 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.926 0.393 . . . . 0.0 111.186 -179.254 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.22 -42.16 32.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.073 179.266 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.3 ttm180 -52.68 -47.75 67.0 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.451 179.554 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.572 HG23 HG21 ' A' ' 119' ' ' ILE . 27.5 mt -63.98 -36.2 76.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.293 -0.412 . . . . 0.0 109.945 179.326 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -59.43 -49.19 78.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.654 0.74 . . . . 0.0 109.146 178.296 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.29 -51.74 64.86 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.448 -1.251 . . . . 0.0 110.439 179.359 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -49.81 -48.19 50.88 Favored 'General case' 0 N--CA 1.461 0.109 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.656 179.368 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.456 HG23 ' CG2' ' A' ' 98' ' ' VAL . 73.0 mt -60.8 -51.9 67.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.463 179.215 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.9 m -50.03 -34.28 20.89 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.311 -179.82 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -81.16 -39.15 25.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.002 0.429 . . . . 0.0 110.185 179.694 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.508 ' HE2' ' HA ' ' A' ' 119' ' ' ILE . 35.6 mttp -65.76 -37.7 87.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.388 178.814 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 65.76 75.12 0.35 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.474 -178.305 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.456 ' CG2' HG23 ' A' ' 93' ' ' ILE . 10.0 m -130.14 160.2 41.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.13 -179.38 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 25.1 mttm -80.57 61.03 4.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.919 0.39 . . . . 0.0 111.429 -179.601 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 72.1 mt -131.52 107.64 13.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.253 179.07 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -124.66 149.53 47.05 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.384 179.917 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -84.22 124.96 31.76 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.072 0.463 . . . . 0.0 111.819 -179.628 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -64.77 137.06 57.57 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 177.609 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 4.0 mmtp -91.29 -23.35 20.17 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.628 -179.263 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 11.3 p -82.92 7.56 15.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.686 -0.234 . . . . 0.0 111.399 179.822 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -63.67 179.21 0.5 Allowed 'General case' 0 CA--C 1.519 -0.221 0 CA-C-O 121.458 0.646 . . . . 0.0 111.869 -179.499 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -114.1 -19.13 11.49 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.879 -179.869 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 16.7 p80 -158.94 -159.91 0.81 Allowed 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.487 -178.369 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 83.1 mt -119.49 -117.31 0.32 Allowed 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 178.539 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 59.79 121.38 0.01 OUTLIER 'General case' 0 C--N 1.34 0.156 0 CA-C-O 121.202 0.525 . . . . 0.0 111.882 179.456 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 35.1 pt -114.36 154.68 15.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.319 179.309 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 18.1 p -76.72 155.04 33.57 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.626 179.88 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.73 -37.1 58.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.114 0.483 . . . . 0.0 110.439 179.648 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 36.3 t80 -49.8 -59.12 4.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.17 -179.573 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 115' ' ' HIS . . . . . 0.486 ' ND1' HD12 ' A' ' 69' ' ' LEU . 23.7 m170 -67.51 -38.69 84.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.624 -179.504 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.439 ' HD3' ' HB2' ' A' ' 83' ' ' ALA . 8.2 ttpp -55.17 -51.22 67.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.072 0.463 . . . . 0.0 110.51 179.678 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -68.82 -37.2 79.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.004 -179.967 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.642 HD23 ' O ' ' A' ' 118' ' ' LEU . 4.1 tt -65.6 -35.98 82.41 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.649 -179.247 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.572 HG21 HG23 ' A' ' 89' ' ' ILE . 72.9 mt -88.39 -41.4 14.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 -177.864 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -72.29 -34.58 68.27 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 -178.243 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 17.8 m -83.87 40.45 0.75 Allowed 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 114.913 1.449 . . . . 0.0 114.913 -176.326 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.502 ' HB ' ' NZ ' ' A' ' 96' ' ' LYS . 13.9 t -138.21 -32.9 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.355 177.868 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 1.1 mtm180 -128.88 48.98 2.27 Favored 'General case' 0 C--O 1.23 0.078 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 177.528 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -171.71 38.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.82 -179.369 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 8.5 mtm180 -98.83 37.76 1.47 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.391 -179.794 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.435 ' O ' ' HE2' ' A' ' 127' ' ' LYS . 15.0 ttm180 -84.55 48.79 1.57 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.681 179.572 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.435 ' HE2' ' O ' ' A' ' 126' ' ' ARG . 0.2 OUTLIER -110.22 -18.48 13.29 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.223 179.567 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 14.8 mtt85 -115.03 165.4 12.94 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 178.161 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.43 -47.26 0.25 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.806 0.336 . . . . 0.0 111.436 -179.866 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 134.54 153.54 6.92 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.155 -179.454 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 89.8 p . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.184 -0.912 . . . . 0.0 110.822 -179.993 . . . . . . . . 0 0 . 1 . 043 nuclear build full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 044 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 121.434 0.635 . . . . 0.0 112.075 . . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -167.25 33.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.167 -0.924 . . . . 0.0 109.405 178.623 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -166.47 33.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 114.882 -1.053 . . . . 0.0 109.769 179.729 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -178.2 48.74 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.378 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.646 -179.74 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -92.77 -174.95 3.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.813 0.339 . . . . 0.0 111.054 -179.52 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.08 140.86 49.15 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 121.401 0.62 . . . . 0.0 112.043 179.98 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 43.5 t -43.6 144.25 0.83 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 114.891 -1.049 . . . . 0.0 111.481 -179.81 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 31.2 p -105.78 24.99 11.4 Favored 'General case' 0 CA--C 1.528 0.126 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.439 -179.681 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 90.9 mt -113.07 149.04 34.02 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 178.445 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.471 ' HG2' ' HD3' ' A' ' 75' ' ' ARG . 17.1 mtp180 -113.79 142.36 46.17 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.908 0.385 . . . . 0.0 111.143 -179.527 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -121.64 99.39 6.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.868 178.912 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 65.15 29.98 11.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.586 -179.169 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 102.77 -22.43 37.18 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.802 -0.713 . . . . 0.0 113.382 179.232 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -88.6 126.59 35.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.277 0.561 . . . . 0.0 111.902 -179.468 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.471 ' HD3' ' HG2' ' A' ' 70' ' ' ARG . 7.0 tpp85 -69.12 63.18 0.13 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.105 -0.952 . . . . 0.0 112.175 -178.861 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 12.2 t 48.05 -86.38 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 178.463 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 114.44 -5.85 23.02 Favored Glycine 0 CA--C 1.522 0.497 0 C-N-CA 120.37 -0.919 . . . . 0.0 113.017 -179.262 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 56.6 ttt180 -104.7 143.17 33.46 Favored 'General case' 0 C--N 1.334 -0.105 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 179.214 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.02 162.76 5.33 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.005 0.431 . . . . 0.0 111.735 -178.734 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -78.71 165.12 23.98 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.821 -179.59 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -118.82 -135.59 5.21 Favored Glycine 0 C--N 1.334 0.462 0 C-N-CA 120.809 -0.71 . . . . 0.0 113.783 -179.139 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -111.21 -16.12 13.5 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 112.235 0.458 . . . . 0.0 112.235 -178.39 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.09 -161.86 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.839 0.352 . . . . 0.0 111.315 -179.701 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 32.4 p -162.97 150.79 13.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 179.731 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -76.85 140.63 40.68 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.247 -0.433 . . . . 0.0 109.848 178.906 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 90.8 p -145.02 -170.18 3.36 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.085 0.469 . . . . 0.0 111.328 -179.302 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.05 -40.42 38.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.052 178.46 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -53.27 -47.43 69.14 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 121.049 0.452 . . . . 0.0 110.323 179.561 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.989 HG23 HG21 ' A' ' 119' ' ' ILE . 49.7 mt -64.13 -36.26 76.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.289 179.426 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -62.12 -47.52 84.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.069 0.461 . . . . 0.0 109.915 179.216 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.9 tmtm? -61.67 -49.62 75.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.867 179.243 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 16.7 m -52.18 -43.6 64.24 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.211 179.117 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.427 HG23 ' CG2' ' A' ' 98' ' ' VAL . 97.2 mt -61.76 -52.1 64.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.141 -0.482 . . . . 0.0 109.962 178.8 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 40.1 m -49.63 -47.1 49.99 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.119 -179.845 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 41.9 tp60 -62.29 -47.7 83.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.993 0.425 . . . . 0.0 109.981 179.57 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.641 ' HE3' HG21 ' A' ' 122' ' ' VAL . 44.7 mttp -60.5 -42.27 96.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.067 178.755 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 2.2 mmtm 70.83 80.58 0.16 Allowed 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.451 -178.592 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.427 ' CG2' HG23 ' A' ' 93' ' ' ILE . 19.0 m -134.39 162.2 39.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.385 -178.965 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 9.9 mttm -81.28 57.78 3.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.303 -179.755 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 63.4 mt -134.87 105.49 6.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.541 179.511 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -127.77 158.27 38.13 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.243 179.849 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.466 HD23 ' NZ ' ' A' ' 104' ' ' LYS . 0.6 OUTLIER -84.43 131.8 34.63 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.292 0.568 . . . . 0.0 112.093 -179.497 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -77.98 143.66 37.39 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 177.839 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.466 ' NZ ' HD23 ' A' ' 102' ' ' LEU . 0.8 OUTLIER -95.46 -12.83 25.22 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.826 -0.35 . . . . 0.0 111.475 -179.721 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.2 p -87.63 2.89 49.72 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 120.539 0.209 . . . . 0.0 111.321 179.61 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -68.17 -138.54 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 116.701 -0.227 . . . . 0.0 111.021 -179.666 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -161.27 -67.39 0.06 Allowed 'General case' 0 N--CA 1.455 -0.218 0 CA-C-O 121.114 0.483 . . . . 0.0 110.763 179.991 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 17.0 p80 -86.54 176.75 7.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.551 -179.371 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 72.4 mt -124.93 66.34 1.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.002 179.149 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -136.32 128.75 30.3 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.265 -179.71 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 18.3 pt -105.62 -176.75 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.892 179.905 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 20.8 p -98.22 158.33 15.63 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.43 179.604 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.16 -32.82 66.79 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.005 0.431 . . . . 0.0 110.572 179.7 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -57.48 -62.18 1.96 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.642 -179.502 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 19.3 m170 -65.24 -36.6 84.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.579 -179.219 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 9.2 ttpp -58.37 -54.63 44.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.982 0.42 . . . . 0.0 110.782 -179.904 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.424 ' O ' ' HB2' ' A' ' 121' ' ' SER . 14.4 t-20 -67.12 -34.76 78.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.552 -179.665 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.685 HD23 ' O ' ' A' ' 118' ' ' LEU . 4.2 tt -64.2 -42.28 96.71 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.846 -179.246 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.989 HG21 HG23 ' A' ' 89' ' ' ILE . 77.2 mt -84.47 -36.89 12.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 -177.878 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -72.34 -33.65 67.45 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 -178.236 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.424 ' HB2' ' O ' ' A' ' 117' ' ' ASN . 0.5 OUTLIER -73.99 -16.53 61.07 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 -176.895 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.641 HG21 ' HE3' ' A' ' 96' ' ' LYS . 73.4 t -76.87 -20.81 14.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 C-N-CA 120.289 -0.565 . . . . 0.0 110.705 179.467 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.434 ' CZ ' ' HA ' ' A' ' 123' ' ' ARG . 0.4 OUTLIER -94.38 28.01 2.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.098 0.475 . . . . 0.0 110.098 178.511 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -160.01 25.28 0.17 Allowed 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.155 -179.989 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -86.57 72.65 10.21 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.339 -178.881 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 16.3 mtp85 -136.25 117.15 14.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.819 179.473 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 8.3 mmtt -127.92 -13.52 5.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.477 178.573 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.78 87.82 4.42 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 178.849 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 1.6 mtmp? -91.49 -75.2 0.48 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.222 -178.961 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -134.95 -121.4 2.13 Favored Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.84 -0.695 . . . . 0.0 111.567 -179.849 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.1 p . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.321 -0.847 . . . . 0.0 110.678 179.577 . . . . . . . . 0 0 . 1 . 044 nuclear build full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 045 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 77.7 p . . . . . 0 N--CA 1.48 1.038 0 CA-C-O 121.549 0.69 . . . . 0.0 112.005 . . . . . . . . . 0 0 . 1 . 045 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.3 m120 53.7 35.86 22.3 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.977 -1.01 . . . . 0.0 112.593 177.495 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -139.05 7.04 2.42 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.023 177.889 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -119.07 35.88 3.76 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.073 -179.671 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -69.4 168.07 15.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.837 0.351 . . . . 0.0 110.512 179.732 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.62 169.63 8.68 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.07 0.462 . . . . 0.0 111.699 -179.975 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 15.8 t -70.44 130.04 40.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.947 -179.857 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 26.6 p -90.25 39.0 0.95 Allowed 'General case' 0 N--CA 1.462 0.137 0 N-CA-C 112.13 0.419 . . . . 0.0 112.13 -179.326 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 76.0 mt -126.28 162.43 25.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.784 0.326 . . . . 0.0 110.447 177.812 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.462 ' HG2' ' HD3' ' A' ' 75' ' ' ARG . 19.3 mtp-105 -134.68 105.46 6.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.828 179.869 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -93.56 118.55 31.5 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 179.064 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 54.73 29.35 11.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.363 -178.934 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 88.26 -7.99 79.91 Favored Glycine 0 C--N 1.332 0.356 0 CA-C-N 115.736 -0.666 . . . . 0.0 113.344 179.415 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -87.92 126.84 35.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 117.186 0.493 . . . . 0.0 110.515 179.424 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.551 ' O ' ' N ' ' A' ' 77' ' ' GLY . 0.0 OUTLIER -74.27 57.35 0.67 Allowed 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.506 -179.009 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t 47.23 -71.47 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 113.607 0.965 . . . . 0.0 113.607 179.774 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.551 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 99.89 -9.52 60.07 Favored Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 111.39 -0.684 . . . . 0.0 111.39 -178.494 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 57.3 ttt-85 -100.46 143.01 31.15 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 179.21 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.53 166.43 6.74 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.019 0.438 . . . . 0.0 111.891 -178.714 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.27 151.19 36.85 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.399 -179.489 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -104.75 -125.75 5.65 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.7 -0.762 . . . . 0.0 113.753 -179.038 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -117.9 -29.3 5.7 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 111.968 0.358 . . . . 0.0 111.968 -178.122 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.3 159.58 32.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.037 0.446 . . . . 0.0 111.826 -179.279 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -126.27 143.76 51.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.679 179.856 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -64.45 135.01 55.65 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 178.955 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -137.18 -167.27 2.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.142 0.496 . . . . 0.0 111.857 -178.87 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.428 ' O ' ' HB3' ' A' ' 90' ' ' GLN . 2.5 mmtm -77.38 -43.88 31.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.277 178.94 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.4 ttm180 -52.69 -55.77 20.24 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.443 -0.798 . . . . 0.0 110.33 179.392 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.616 HG23 HG21 ' A' ' 119' ' ' ILE . 83.5 mt -51.94 -35.91 19.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.66 179.785 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.428 ' HB3' ' O ' ' A' ' 87' ' ' LYS . 0.5 OUTLIER -65.33 -46.56 79.81 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 178.972 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.71 -39.38 80.62 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.678 179.235 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 54.9 m -63.85 -45.39 89.7 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.797 178.907 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 86.5 mt -62.65 -30.19 48.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.015 178.883 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 33.9 m -73.76 -33.19 64.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.038 -179.975 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -81.01 -26.98 36.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.889 0.376 . . . . 0.0 110.312 179.451 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 97' ' ' LYS . 10.1 mttm -78.59 -42.73 28.29 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.399 178.938 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 96' ' ' LYS . 3.6 mmmt 67.9 67.68 0.35 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.655 -178.266 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 28.6 m -122.67 174.84 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.97 -179.521 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 32.7 mttp -89.44 41.47 1.04 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.395 -179.632 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 75.6 mt -108.66 116.86 52.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.836 0.351 . . . . 0.0 110.18 179.212 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -141.16 157.76 44.84 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.637 -179.935 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.476 ' HG ' ' N ' ' A' ' 103' ' ' ASP . 0.6 OUTLIER -86.15 146.39 26.6 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.225 0.536 . . . . 0.0 111.845 -179.308 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.476 ' N ' ' HG ' ' A' ' 102' ' ' LEU . 66.7 t0 -95.09 138.8 32.32 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 177.676 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 20.3 mmtm -96.89 13.24 29.45 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -179.102 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.8 p -95.36 -24.63 16.63 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.779 0.323 . . . . 0.0 111.18 -179.749 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -65.74 174.48 2.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.168 0.508 . . . . 0.0 111.845 -179.333 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 45.3 mtm180 -121.03 -0.86 9.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.877 179.398 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 108' ' ' HIS . . . . . 0.424 ' HB2' ' CD2' ' A' ' 110' ' ' TYR . 7.8 p80 -136.28 159.44 41.73 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 121.046 0.45 . . . . 0.0 111.74 -178.762 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 14.7 mt -117.3 59.91 0.76 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.627 179.652 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.424 ' CD2' ' HB2' ' A' ' 108' ' ' HIS . 80.7 m-85 -124.45 122.96 39.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.946 179.465 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 29.6 pt -103.94 168.52 2.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.798 179.846 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 25.8 p -79.69 148.99 31.35 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.55 179.688 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -52.59 -32.85 43.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.132 0.491 . . . . 0.0 110.184 179.833 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -52.9 -55.83 20.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.207 179.972 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 10.7 m170 -68.04 -36.03 79.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.635 -179.435 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.405 ' O ' ' HB2' ' A' ' 120' ' ' GLN . 4.2 ttpp -58.99 -50.92 72.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.978 0.418 . . . . 0.0 110.293 179.522 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -67.02 -34.37 77.59 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.21 -179.519 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.512 HD23 ' O ' ' A' ' 118' ' ' LEU . 4.6 tt -68.71 -42.84 77.13 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.961 -179.175 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.616 HG21 HG23 ' A' ' 89' ' ' ILE . 60.1 mt -83.88 -36.79 12.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 -177.839 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.407 ' O ' ' HB3' ' A' ' 124' ' ' ASN . 1.1 mt-30 -73.14 -38.12 66.37 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 -178.565 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.442 ' HA ' ' O ' ' A' ' 124' ' ' ASN . 47.4 m -79.86 10.21 4.43 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 114.859 1.429 . . . . 0.0 114.859 -175.908 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 118' ' ' LEU . 96.2 t -93.99 -39.67 10.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 C-N-CA 120.411 -0.515 . . . . 0.0 110.102 178.734 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -107.76 21.39 17.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.491 178.217 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 124' ' ' ASN . . . . . 0.442 ' O ' ' HA ' ' A' ' 121' ' ' SER . 3.2 t30 -162.31 113.07 1.56 Allowed 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.304 -179.562 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 44.5 mtp180 -120.65 142.12 49.74 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.197 0.522 . . . . 0.0 112.122 -179.195 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.414 ' O ' ' HB2' ' A' ' 127' ' ' LYS . 1.6 ttt-85 -122.03 23.81 9.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.739 178.135 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.414 ' HB2' ' O ' ' A' ' 126' ' ' ARG . 0.0 OUTLIER 73.4 119.82 0.04 OUTLIER 'General case' 0 N--CA 1.457 -0.121 0 N-CA-C 112.994 0.739 . . . . 0.0 112.994 179.126 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.414 ' O ' ' HG2' ' A' ' 128' ' ' ARG . 30.1 ttm-85 -92.3 -14.57 28.62 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 176.586 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 2.5 ttpp 71.06 -95.83 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.161 179.385 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -171.3 55.98 0.18 Allowed Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.347 -0.93 . . . . 0.0 112.395 -179.704 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.657 179.472 . . . . . . . . 0 0 . 1 . 045 nuclear build full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 046 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.479 1.005 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 . . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -65.24 86.69 0.07 Allowed 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 121.43 0.633 . . . . 0.0 112.219 -177.732 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -163.24 22.74 0.08 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.025 -0.989 . . . . 0.0 110.615 178.36 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -104.58 35.72 4.87 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.069 -179.37 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -107.43 147.18 30.75 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.713 0.292 . . . . 0.0 110.589 -179.92 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 55.9 mt -97.28 148.29 23.27 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.468 179.535 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 41.6 t -48.93 151.82 1.17 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.748 179.686 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 11.0 p -110.55 32.88 4.87 Favored 'General case' 0 N--CA 1.462 0.153 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -179.252 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 96.9 mt -111.72 157.07 20.94 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 110.197 -0.297 . . . . 0.0 110.197 177.938 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.469 ' HG2' ' HD2' ' A' ' 75' ' ' ARG . 14.4 mtp180 -122.67 114.09 20.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.517 -179.647 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -101.7 106.03 17.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.038 178.96 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 57.21 43.7 23.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.716 -179.396 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 84.65 -11.41 59.28 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.956 -0.64 . . . . 0.0 113.302 179.518 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.4 ' O ' ' HA ' ' A' ' 70' ' ' ARG . 2.9 mm-40 -88.51 130.23 35.27 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.982 0.391 . . . . 0.0 111.279 -179.378 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.469 ' HD2' ' HG2' ' A' ' 70' ' ' ARG . 35.2 mmm-85 -81.56 62.09 5.27 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.875 -178.954 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 16.3 t 40.29 -86.7 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 179.073 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 108.03 -10.95 37.45 Favored Glycine 0 C--N 1.334 0.448 0 C-N-CA 120.516 -0.849 . . . . 0.0 112.848 -179.602 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 42.2 ttt180 -91.74 153.86 19.34 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.783 0.325 . . . . 0.0 110.436 179.86 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.22 139.82 54.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.848 -179.311 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.79 149.84 29.92 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.046 179.006 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -107.39 -130.45 6.38 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.361 -0.923 . . . . 0.0 114.059 -178.615 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -115.76 -3.55 12.23 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 -178.169 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.455 ' HB2' ' HD2' ' A' ' 116' ' ' LYS . . . -86.74 -174.8 5.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.943 0.402 . . . . 0.0 111.646 -179.151 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.5 m -140.19 178.83 7.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.07 179.612 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -112.04 89.9 3.19 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.751 -0.462 . . . . 0.0 109.751 178.971 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 79.9 p -87.51 -171.41 3.44 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.503 -178.866 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.4 mmtm -78.08 -38.26 44.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.968 179.05 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -53.85 -46.32 71.19 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.68 HG23 HG21 ' A' ' 119' ' ' ILE . 63.1 mt -62.4 -37.64 79.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.34 179.42 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.91 -52.06 65.6 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.384 0.612 . . . . 0.0 109.437 178.591 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.75 -38.32 75.15 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.043 -0.98 . . . . 0.0 109.746 179.199 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.7 t -60.6 -51.52 69.06 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.298 179.053 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 98.6 mt -56.37 -47.82 80.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.368 179.225 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 49.2 m -55.79 -42.96 76.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.158 -179.784 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -69.69 -31.47 69.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.886 0.374 . . . . 0.0 110.217 179.876 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.561 ' HE2' HG11 ' A' ' 122' ' ' VAL . 7.5 mtpm? -72.79 -39.42 66.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.237 0.541 . . . . 0.0 109.582 178.321 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 20.8 mttp 67.34 67.19 0.39 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.446 -178.692 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 23.7 m -126.15 -175.96 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.372 -179.057 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 8.0 mmtm -100.28 68.51 1.42 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.251 -179.822 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 61.3 mt -141.89 100.18 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.85 0.357 . . . . 0.0 110.807 179.518 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -126.82 152.44 46.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.263 179.497 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 12.1 tp -71.46 138.44 49.01 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.334 0.588 . . . . 0.0 111.802 -179.488 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -71.17 107.67 4.31 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.268 177.972 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 9.1 mmtp -64.37 -15.66 60.86 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 111.665 0.246 . . . . 0.0 111.665 -179.414 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 10.7 p -100.24 22.36 11.6 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.608 0.242 . . . . 0.0 111.106 -179.922 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -78.32 -178.5 5.75 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-O 121.256 0.551 . . . . 0.0 111.675 -179.774 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.23 -35.01 5.14 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.108 -179.817 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 28.6 p80 -145.18 -162.58 1.53 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.054 -178.695 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 57.3 mt -120.26 -126.58 0.27 Allowed 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 178.629 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.44 ' HA ' ' O ' ' A' ' 83' ' ' ALA . 91.5 m-85 57.04 84.62 0.09 Allowed 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 118.344 0.52 . . . . 0.0 111.525 179.356 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 31.6 pt -78.45 173.38 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.4 179.42 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 22.0 p -84.12 157.25 21.78 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.621 179.831 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.77 -32.22 69.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.129 0.49 . . . . 0.0 110.155 179.591 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -52.66 -58.18 7.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.343 179.991 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 11.9 m80 -68.46 -34.28 75.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.602 -179.567 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.455 ' HD2' ' HB2' ' A' ' 83' ' ' ALA . 1.1 ttpm? -58.55 -48.66 80.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.114 0.483 . . . . 0.0 110.598 179.832 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -71.63 -41.08 69.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.13 -179.628 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.636 HD23 ' O ' ' A' ' 118' ' ' LEU . 3.4 tt -62.65 -33.5 75.17 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.828 -179.058 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.68 HG21 HG23 ' A' ' 89' ' ' ILE . 63.7 mt -94.63 -35.75 6.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 -177.741 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -68.71 -46.53 68.7 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 -178.269 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 2.2 m -80.29 26.99 0.35 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 114.898 1.444 . . . . 0.0 114.898 -175.088 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.561 HG11 ' HE2' ' A' ' 96' ' ' LYS . 62.9 t -120.63 95.74 3.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.008 0.432 . . . . 0.0 109.957 177.952 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 73.7 mtt180 51.28 51.53 16.72 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.326 -178.827 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -156.23 24.14 0.36 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.687 179.809 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 28.5 ttm-85 -112.51 -72.59 0.7 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.26 -179.35 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.7 ttm180 -125.56 178.26 5.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.264 -179.974 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 58.3 mttm -131.61 -122.26 0.2 Allowed 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 178.644 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -152.39 54.51 0.8 Allowed 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 179.139 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 10.3 mtpp -138.15 36.59 2.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.335 179.799 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -158.99 104.49 0.25 Allowed Glycine 0 N--CA 1.45 -0.401 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.957 179.83 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 25.0 p . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.593 -0.717 . . . . 0.0 110.808 -179.518 . . . . . . . . 0 0 . 1 . 046 nuclear build full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 047 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.2 m . . . . . 0 N--CA 1.481 1.115 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 . . . . . . . . . 0 0 . 1 . 047 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -90.07 20.44 4.28 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 177.203 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -128.0 13.21 6.76 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.487 177.766 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -95.35 42.31 2.36 Favored Glycine 0 C--N 1.34 0.804 0 C-N-CA 121.056 -0.593 . . . . 0.0 111.899 179.941 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -87.33 -163.9 1.0 Allowed 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 179.794 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 79' ' ' ALA . 0.8 OUTLIER -124.36 155.31 38.99 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-O 121.211 0.529 . . . . 0.0 111.944 179.486 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 46.7 t -49.4 158.43 0.41 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.356 -179.586 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 18.9 m -127.95 32.63 4.9 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 121.019 0.437 . . . . 0.0 111.379 -179.971 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 68.9 mt -117.63 158.11 25.22 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 178.851 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 50.0 mtt-85 -123.16 122.5 38.58 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.328 -179.445 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 74' ' ' GLU . 10.1 tt0 -92.47 120.44 32.96 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.017 178.986 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 50.51 40.2 22.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.038 0.447 . . . . 0.0 110.611 -179.453 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 78.7 -1.01 74.87 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.955 179.895 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' A' ' 71' ' ' GLU . 1.3 mm-40 -109.19 142.73 39.58 Favored 'General case' 0 C--N 1.334 -0.08 0 CA-C-O 121.11 0.481 . . . . 0.0 111.637 -179.77 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.6 mmm-85 -62.15 152.86 31.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.53 -0.759 . . . . 0.0 112.503 -179.036 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.7 t -69.29 -150.87 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.961 179.199 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -177.73 43.64 0.09 OUTLIER Glycine 0 C--N 1.335 0.518 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.593 179.889 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 17.9 ttt85 -152.02 150.45 29.98 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 178.962 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.406 ' HA ' HD12 ' A' ' 66' ' ' LEU . . . -65.58 161.38 20.44 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.002 0.43 . . . . 0.0 111.728 -178.623 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -83.24 157.68 22.58 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.781 -179.523 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -122.75 -162.6 11.58 Favored Glycine 0 C--N 1.335 0.519 0 C-N-CA 120.756 -0.735 . . . . 0.0 113.423 -179.388 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -73.5 -15.2 61.32 Favored 'General case' 0 N--CA 1.462 0.173 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -178.916 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -74.57 145.56 43.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.944 0.402 . . . . 0.0 111.417 -179.763 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 50.3 m -123.64 140.92 52.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.69 179.73 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -61.46 114.34 3.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.11 -0.496 . . . . 0.0 109.992 179.271 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 79.8 p -119.53 -162.22 0.91 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.994 -179.206 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.3 mmtp -81.11 -44.74 17.5 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.699 178.751 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? -52.5 -39.48 61.32 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.322 -179.327 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 78.5 mt -68.26 -35.58 71.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.825 0.345 . . . . 0.0 110.254 179.435 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.96 -44.9 83.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.552 0.691 . . . . 0.0 109.192 178.409 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 19.2 mmtt -59.93 -50.75 72.55 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 114.821 -1.081 . . . . 0.0 110.392 179.101 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 51.7 p -56.8 -41.76 78.31 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.46 179.357 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.4 ' HA ' ' HD3' ' A' ' 96' ' ' LYS . 85.0 mt -62.88 -40.21 87.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 178.722 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.421 ' O ' ' HG2' ' A' ' 97' ' ' LYS . 12.8 t -65.45 -34.36 78.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.375 -179.907 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -73.9 -35.73 64.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.005 0.431 . . . . 0.0 110.189 179.868 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.443 ' HE2' HG21 ' A' ' 122' ' ' VAL . 3.3 mtpm? -75.51 -37.81 59.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.82 178.66 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.421 ' HG2' ' O ' ' A' ' 94' ' ' SER . 6.6 mtmm 66.23 74.75 0.35 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.764 -178.671 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 17.0 m -127.06 -178.9 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.147 -179.321 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 12.2 mttm -102.07 71.61 1.27 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.454 -179.719 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 54.9 mt -137.81 109.9 6.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.194 179.093 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.62 174.37 7.48 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.719 -179.835 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.2 tp -92.01 131.38 37.34 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.811 -179.29 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.4 ' OD1' ' N ' ' A' ' 105' ' ' SER . 15.6 t0 -67.05 125.51 26.22 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 178.356 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 33.7 mtmm -76.43 -30.66 57.49 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -178.724 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.4 ' N ' ' OD1' ' A' ' 103' ' ' ASP . 0.4 OUTLIER -68.09 -21.16 64.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.632 0.253 . . . . 0.0 110.975 -179.957 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -48.12 172.01 0.01 OUTLIER 'General case' 0 CA--C 1.521 -0.172 0 CA-C-O 121.292 0.568 . . . . 0.0 111.787 -179.31 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.14 -36.33 2.53 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.862 -179.267 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 10.7 p80 -112.77 -170.41 1.66 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.355 -179.21 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 46.5 mt -136.2 80.75 1.84 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.607 178.642 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -149.02 104.95 3.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.9 -178.736 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 21.1 pt -79.91 -175.98 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.991 -179.997 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 19.6 p -101.97 169.4 8.79 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.473 179.464 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -69.1 -30.47 68.78 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.115 0.483 . . . . 0.0 110.152 179.678 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.408 ' O ' ' HB2' ' A' ' 118' ' ' LEU . 90.2 t80 -55.87 -61.16 2.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.204 179.973 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 13.7 m170 -68.28 -37.4 80.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.708 -179.4 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 7.9 ttpp -54.63 -52.67 61.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.959 0.409 . . . . 0.0 110.47 179.846 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 20.0 t30 -70.8 -35.62 72.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.317 -179.551 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.602 HD23 ' O ' ' A' ' 118' ' ' LEU . 4.5 tt -63.72 -37.34 86.98 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.636 -179.366 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 54.9 mt -91.15 -48.42 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 -178.28 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -59.21 -33.56 71.12 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 -178.344 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.405 ' HA ' ' O ' ' A' ' 124' ' ' ASN . 83.3 p -89.36 10.21 23.3 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 114.503 1.297 . . . . 0.0 114.503 -176.241 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.443 HG21 ' HE2' ' A' ' 96' ' ' LYS . 67.7 t -90.54 -24.78 5.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 C-N-CA 120.318 -0.553 . . . . 0.0 110.264 178.702 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 24.8 mtp180 -104.14 -10.07 18.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.402 178.333 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 124' ' ' ASN . . . . . 0.405 ' O ' ' HA ' ' A' ' 121' ' ' SER . 44.8 t-20 -153.61 107.15 2.98 Favored 'General case' 0 CA--C 1.528 0.115 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 179.558 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.15 171.61 14.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.42 0.628 . . . . 0.0 112.591 -178.541 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.405 ' O ' ' HG2' ' A' ' 127' ' ' LYS . 48.4 mtp180 -138.91 -155.38 0.59 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.077 -0.965 . . . . 0.0 109.289 179.119 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.405 ' HG2' ' O ' ' A' ' 126' ' ' ARG . 8.1 mtmt -147.11 104.25 3.66 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 121.096 0.474 . . . . 0.0 111.872 179.494 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 19.1 mtm-85 -134.63 -36.62 0.86 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.478 178.253 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 37.5 mttm 57.75 31.3 20.26 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-O 120.88 0.371 . . . . 0.0 110.444 179.171 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -117.52 -14.56 6.84 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.999 -0.619 . . . . 0.0 112.427 179.833 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.0 p . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.41 -0.805 . . . . 0.0 110.86 179.725 . . . . . . . . 0 0 . 1 . 047 nuclear build full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.4 ' HA ' ' HA ' ' A' ' 79' ' ' ALA . 0.1 OUTLIER -116.76 164.24 14.94 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.087 0.47 . . . . 0.0 111.84 -179.881 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 38.2 t -60.32 148.95 35.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.198 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 22.4 p -111.64 38.46 2.61 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.391 -179.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.423 HD12 ' ND1' ' A' ' 115' ' ' HIS . 32.7 mt -131.69 145.84 51.86 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.886 -0.412 . . . . 0.0 109.886 178.705 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.41 ' HA ' ' O ' ' A' ' 74' ' ' GLU . 53.7 mtp180 -116.06 112.22 21.45 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.437 -179.462 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -89.93 90.68 8.27 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 178.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.2 t0 68.27 40.1 2.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.514 -179.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 89.01 -3.95 84.69 Favored Glycine 0 CA--C 1.52 0.369 0 C-N-CA 120.852 -0.69 . . . . 0.0 113.159 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.41 ' O ' ' HA ' ' A' ' 70' ' ' ARG . 5.2 mm-40 -93.41 122.5 35.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 117.071 0.436 . . . . 0.0 111.343 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.517 ' O ' ' N ' ' A' ' 77' ' ' GLY . 3.6 tpp180 -77.33 57.92 1.57 Allowed 'General case' 0 C--O 1.225 -0.21 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.242 -179.318 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.3 t 41.87 -76.39 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 109.45 -34.08 5.71 Favored Glycine 0 N--CA 1.45 -0.367 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 -178.515 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 39.1 ttt180 -75.44 138.71 41.82 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 178.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.4 ' HA ' ' HA ' ' A' ' 66' ' ' LEU . . . -61.08 167.33 3.05 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.046 0.45 . . . . 0.0 111.9 -178.559 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -78.57 148.86 33.16 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.527 -179.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -107.03 -149.03 15.46 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.748 -0.739 . . . . 0.0 113.457 -179.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -95.73 -3.54 45.74 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -178.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.431 ' HB2' ' HD3' ' A' ' 116' ' ' LYS . . . -83.28 167.68 17.4 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.899 0.38 . . . . 0.0 111.446 -179.683 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.27 149.14 51.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.594 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -79.86 112.17 16.89 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 178.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 89.5 p -115.21 -168.21 1.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.19 0.519 . . . . 0.0 111.611 -178.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.9 -44.32 22.95 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.617 179.616 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.24 -42.83 70.33 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.476 179.326 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.681 HG23 HG21 ' A' ' 119' ' ' ILE . 39.9 mt -65.17 -41.23 91.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.133 179.318 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.55 -51.82 68.2 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-O 121.483 0.658 . . . . 0.0 109.447 178.606 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.91 -44.5 86.87 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 114.857 -1.065 . . . . 0.0 110.073 179.191 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 31.7 t -56.19 -45.97 79.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.015 178.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.02 -49.51 84.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.318 179.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.74 -45.13 58.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.181 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.89 -47.44 84.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.837 0.351 . . . . 0.0 110.114 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.3 mtpm? -61.33 -34.77 75.8 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 178.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.5 mmtp 60.84 74.61 0.44 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.496 -0.774 . . . . 0.0 109.657 -178.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 16.3 m -129.68 174.21 12.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.242 -179.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 45.1 mttm -88.48 63.16 6.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.531 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 32.5 mt -133.41 109.66 13.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.172 179.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -131.98 154.48 49.28 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.829 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 16.9 tp -69.57 142.99 53.47 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.342 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -91.32 125.61 36.14 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 177.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 7.7 mtmt -85.74 -12.68 50.46 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -178.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.2 p -76.35 -3.69 38.19 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.212 179.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -85.07 175.37 9.06 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 121.157 0.503 . . . . 0.0 112.04 -179.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -126.11 -15.28 5.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.676 179.431 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 29.9 p80 -118.61 166.37 12.82 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.211 0.529 . . . . 0.0 111.667 -178.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 62.2 mt -122.95 77.65 1.47 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.739 178.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -143.85 120.4 11.06 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.176 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 35.6 pt -100.15 170.95 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 16.4 p -84.59 164.12 18.89 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.473 179.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -64.1 -34.0 77.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.138 0.494 . . . . 0.0 110.335 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -54.51 -61.19 2.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.318 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . 0.423 ' ND1' HD12 ' A' ' 69' ' ' LEU . 23.6 m170 -64.1 -34.23 77.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.778 -179.325 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.431 ' HD3' ' HB2' ' A' ' 83' ' ' ALA . 14.8 ttpp -58.98 -53.94 52.78 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.058 0.456 . . . . 0.0 110.553 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -63.45 -46.32 86.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.92 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.401 ' O ' HD23 ' A' ' 118' ' ' LEU . 4.3 tt -56.44 -45.29 80.86 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.011 -178.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.681 HG21 HG23 ' A' ' 89' ' ' ILE . 81.2 mt -77.24 -38.57 27.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -178.039 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -70.07 -38.39 75.72 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 -178.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.327 -0.376 0 N-CA-C 114.802 1.408 . . . . 0.0 114.802 -175.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.165 0 CA-C-O 121.041 0.448 . . . . 0.0 111.214 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 14.0 mt -124.3 146.65 48.66 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.351 179.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.429 ' O ' ' NH2' ' A' ' 75' ' ' ARG . 51.5 t -46.92 158.42 0.13 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.935 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 28.4 p -122.71 31.95 5.9 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -179.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 75.3 mt -122.43 163.26 20.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.78 0.324 . . . . 0.0 110.196 178.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 28.7 mtp180 -117.17 148.28 41.72 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.706 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -118.42 100.95 7.8 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.951 179.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 59.15 42.38 18.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.457 -179.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 84.36 -9.12 65.23 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.938 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -106.01 122.15 45.57 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-O 121.171 0.51 . . . . 0.0 111.246 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.429 ' NH2' ' O ' ' A' ' 67' ' ' CYS . 15.0 tpt180 -53.86 141.61 26.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.515 -0.766 . . . . 0.0 112.495 -179.072 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 34.7 t -58.0 -72.65 0.09 Allowed 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.728 178.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 95.45 -22.53 38.35 Favored Glycine 0 C--N 1.331 0.296 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.936 179.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 50.1 ttt85 -66.53 140.27 57.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.802 0.334 . . . . 0.0 110.618 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -50.08 150.77 2.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.589 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.78 152.34 44.71 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.211 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -100.85 -131.58 7.45 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.536 -0.84 . . . . 0.0 113.761 -178.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -119.21 7.2 11.26 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -178.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -115.34 173.87 6.29 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.038 0.447 . . . . 0.0 111.504 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.7 m -133.13 160.37 37.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.572 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -75.08 142.75 43.67 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.659 -0.496 . . . . 0.0 109.659 178.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 60.6 p -149.27 -164.47 2.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.024 0.44 . . . . 0.0 111.457 -179.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.14 -44.44 25.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.322 179.184 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.81 -41.79 64.5 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.503 -0.772 . . . . 0.0 110.723 179.665 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.873 HG23 HG21 ' A' ' 119' ' ' ILE . 20.6 mt -69.0 -41.88 81.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.978 179.236 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -57.58 -44.66 85.49 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-O 121.649 0.737 . . . . 0.0 109.155 178.241 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.8 mmtp -65.49 -42.49 92.08 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 114.479 -1.237 . . . . 0.0 110.131 179.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.401 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 59.1 m -60.99 -44.64 97.1 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.382 179.558 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.544 HG23 HG22 ' A' ' 98' ' ' VAL . 95.3 mt -63.88 -41.83 93.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.063 0.458 . . . . 0.0 109.827 178.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 20.6 t -55.34 -43.78 75.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.274 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -67.51 -25.31 65.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.86 0.362 . . . . 0.0 110.364 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.571 ' NZ ' HG23 ' A' ' 119' ' ' ILE . 27.0 mttp -84.89 -38.44 19.41 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.069 178.727 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 33.4 mmtm 63.78 61.58 0.97 Allowed 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.55 -178.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.544 HG22 HG23 ' A' ' 93' ' ' ILE . 34.7 m -112.84 168.63 5.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.17 -179.453 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 53.4 mttm -88.35 43.57 1.14 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.591 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 29.6 mt -116.93 100.01 9.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.959 0.409 . . . . 0.0 109.929 178.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -118.66 167.93 11.19 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.722 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.1 tt -87.1 117.54 25.9 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.912 -179.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -63.23 140.88 58.92 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 177.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 22.7 mttm -99.72 13.41 33.74 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.963 -179.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 8.4 t -91.64 -16.71 26.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.679 0.276 . . . . 0.0 110.943 179.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -78.71 160.64 27.37 Favored 'General case' 0 N--CA 1.457 -0.121 0 CA-C-O 121.101 0.476 . . . . 0.0 112.028 -179.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 36.3 mtp180 -109.67 -3.15 17.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.503 -0.772 . . . . 0.0 111.103 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . 0.412 ' HB2' ' CE1' ' A' ' 110' ' ' TYR . 12.9 p80 -131.35 166.59 20.91 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.068 0.461 . . . . 0.0 111.574 -178.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 70.2 mt -120.11 85.33 2.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.052 178.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.412 ' CE1' ' HB2' ' A' ' 108' ' ' HIS . 85.1 m-85 -142.87 130.59 21.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.312 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 34.1 pt -111.42 167.78 5.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.949 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 25.5 p -90.45 164.38 14.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.598 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -62.29 -29.27 70.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.082 0.467 . . . . 0.0 110.295 179.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -56.88 -61.91 2.11 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.353 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 30.8 m170 -71.62 -30.62 65.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.644 -179.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 10.4 ttpp -59.13 -53.32 59.68 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.11 0.481 . . . . 0.0 110.397 179.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -67.63 -40.23 84.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.025 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.41 HD23 ' O ' ' A' ' 118' ' ' LEU . 6.2 tt -62.05 -37.73 86.08 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.03 -179.05 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.873 HG21 HG23 ' A' ' 89' ' ' ILE . 84.5 mt -85.69 -41.34 15.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 -178.009 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -63.65 -46.15 86.95 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 -177.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 56.1 p . . . . . 0 C--N 1.326 -0.424 0 N-CA-C 114.502 1.297 . . . . 0.0 114.502 -175.01 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.418 ' O ' ' HA ' ' A' ' 79' ' ' ALA . 0.0 OUTLIER . . . . . 0 CA--C 1.523 -0.089 0 CA-C-O 120.845 0.355 . . . . 0.0 111.112 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 26.9 mt -106.91 150.76 26.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.778 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 42.8 t -55.06 160.61 1.99 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.817 179.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 17.3 p -120.41 26.14 9.37 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.684 0.278 . . . . 0.0 111.722 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 64.7 mt -111.59 164.78 12.62 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 178.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 21.6 mtp85 -134.51 129.84 35.73 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.837 0.351 . . . . 0.0 110.875 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.405 ' O ' ' HB2' ' A' ' 74' ' ' GLU . 4.7 tt0 -105.41 107.51 18.53 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.945 179.228 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 59.16 50.81 7.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.676 -179.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 66.14 9.6 48.77 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.837 -0.697 . . . . 0.0 113.033 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' A' ' 71' ' ' GLU . 33.0 mm-40 -112.79 125.03 53.89 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 121.011 0.434 . . . . 0.0 110.769 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.35 133.15 55.52 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.76 -0.654 . . . . 0.0 112.065 -178.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 42.4 t -56.84 -53.5 57.19 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.763 179.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 73.56 -11.77 5.24 Favored Glycine 0 CA--C 1.521 0.41 0 CA-C-N 115.944 -0.571 . . . . 0.0 113.618 179.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.4 ' CZ ' ' HB2' ' A' ' 114' ' ' TYR . 38.2 ttt85 -73.05 143.23 47.56 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 117.114 0.457 . . . . 0.0 109.955 -179.388 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.418 ' HA ' ' O ' ' A' ' 65' ' ' GLN . . . -53.1 148.24 8.43 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.588 -179.43 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.63 157.13 35.9 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.867 178.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -114.35 -135.26 5.97 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.157 -1.021 . . . . 0.0 113.947 -178.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -111.81 15.34 20.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.463 -0.369 . . . . 0.0 111.785 -178.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -106.75 176.42 5.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.024 0.44 . . . . 0.0 111.597 -179.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 48.2 m -145.97 141.21 27.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.839 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -66.48 113.54 4.79 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.728 179.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 97.8 p -118.93 -172.23 2.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.991 0.424 . . . . 0.0 111.612 -179.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.67 -41.59 45.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.502 179.032 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -57.06 -50.7 71.95 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.106 179.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.924 HG23 HG21 ' A' ' 119' ' ' ILE . 63.2 mt -58.76 -40.92 81.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.832 179.078 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 18.7 tm0? -56.36 -46.56 79.94 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 121.548 0.689 . . . . 0.0 109.25 178.429 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp -63.8 -45.58 89.0 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 114.73 -1.123 . . . . 0.0 110.113 179.155 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 41.6 m -56.91 -36.96 70.78 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.277 179.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 93.9 mt -70.9 -48.1 58.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.215 179.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 32.6 t -52.17 -39.39 60.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.059 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -68.61 -41.74 79.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.09 0.472 . . . . 0.0 109.881 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.421 ' O ' ' HB2' ' A' ' 97' ' ' LYS . 61.0 mttp -60.06 -40.0 87.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.583 179.192 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.421 ' HB2' ' O ' ' A' ' 96' ' ' LYS . 1.8 mmtm 68.0 58.91 0.46 Allowed 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.326 -178.053 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.412 HG13 ' HB3' ' A' ' 96' ' ' LYS . 31.1 m -115.59 170.61 5.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.602 -179.082 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.0 mmtm -91.64 40.9 1.05 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.711 -179.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 31.0 mt -113.71 118.61 58.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.921 0.391 . . . . 0.0 110.16 178.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -134.91 173.04 12.16 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.414 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.437 ' HG ' ' N ' ' A' ' 103' ' ' ASP . 1.2 tp -88.7 136.02 33.21 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.38 0.61 . . . . 0.0 112.118 -179.523 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.437 ' N ' ' HG ' ' A' ' 102' ' ' LEU . 23.9 t0 -80.16 135.73 36.36 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 177.336 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 16.4 mttm -93.07 -22.47 19.1 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.35 -179.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 34.4 t -73.95 -4.37 34.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.581 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.92 -165.91 0.02 OUTLIER 'General case' 0 CA--C 1.522 -0.104 0 CA-C-O 121.241 0.543 . . . . 0.0 111.69 -179.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.8 ttp180 -128.82 -35.31 1.89 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.379 -179.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 14.6 p80 -132.34 174.71 9.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.114 0.483 . . . . 0.0 111.724 -178.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 32.3 mt -110.86 73.32 0.82 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.476 179.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -133.4 120.89 21.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.237 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 34.1 pt -100.14 160.02 3.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.986 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 7.6 p -76.0 160.19 30.09 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.501 179.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -62.63 -33.72 75.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.085 0.469 . . . . 0.0 110.435 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.4 ' HB2' ' CZ ' ' A' ' 78' ' ' ARG . 64.3 t80 -53.51 -61.57 2.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.213 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 19.5 m170 -64.29 -31.08 72.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.577 -179.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 11.9 ttpp -62.52 -52.96 61.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.947 0.403 . . . . 0.0 110.479 179.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -64.99 -30.19 71.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.0 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.452 HD23 ' O ' ' A' ' 118' ' ' LEU . 5.2 tt -74.72 -42.67 57.89 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.747 -179.721 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.924 HG21 HG23 ' A' ' 89' ' ' ILE . 82.4 mt -79.11 -37.21 19.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 113.275 0.842 . . . . 0.0 113.275 -177.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -71.37 -28.4 64.01 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 -178.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 59.4 p . . . . . 0 N--CA 1.466 0.368 0 N-CA-C 114.478 1.288 . . . . 0.0 114.478 -176.263 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -111.51 154.76 24.29 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.099 0.476 . . . . 0.0 111.655 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 44.8 t -48.33 143.44 4.72 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.122 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 23.6 p -104.97 33.13 3.77 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.922 0.391 . . . . 0.0 111.399 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 35.6 mt -129.79 149.56 51.47 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.678 178.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 64.2 mtp180 -115.06 114.13 24.96 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.77 0.319 . . . . 0.0 111.072 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 77.3 tt0 -91.47 106.09 18.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.106 179.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 57.98 43.46 21.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.923 -179.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 87.02 -22.84 12.52 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.766 -0.731 . . . . 0.0 113.302 179.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -83.6 130.24 34.98 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 117.259 0.53 . . . . 0.0 111.542 -179.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 77' ' ' GLY . 10.3 tpp180 -74.68 60.42 0.91 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.083 -179.398 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 7.0 t 44.61 -82.94 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 179.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 115.37 -31.97 5.95 Favored Glycine 0 C--N 1.332 0.319 0 C-N-CA 120.616 -0.802 . . . . 0.0 111.829 -178.668 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 62.2 ttt-85 -76.09 144.53 40.65 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 179.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.4 151.27 45.37 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.012 0.434 . . . . 0.0 111.734 -178.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.56 159.13 19.38 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.675 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -125.28 -136.5 4.55 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.178 -1.01 . . . . 0.0 114.068 -178.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -97.93 -15.8 19.99 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -178.154 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -79.99 169.82 17.33 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.854 0.359 . . . . 0.0 111.446 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.1 p -134.33 -166.62 1.83 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.191 179.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -121.31 131.97 54.51 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.837 179.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 47.4 p -136.54 -168.21 2.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.18 0.514 . . . . 0.0 111.611 -179.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.89 -44.4 40.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.245 179.453 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? -52.23 -47.0 65.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.208 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.608 HG23 HG21 ' A' ' 119' ' ' ILE . 29.7 mt -66.78 -33.55 64.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.348 179.464 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -63.08 -42.38 99.61 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-O 121.344 0.593 . . . . 0.0 109.64 178.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.16 -33.6 67.85 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.831 179.42 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 19.8 m -63.41 -34.99 78.95 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.687 178.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 71.6 mt -78.21 -45.37 26.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.921 178.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 38.9 t -52.14 -43.35 63.98 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.094 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 30.9 tp60 -69.84 -36.53 75.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.89 0.376 . . . . 0.0 110.154 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.452 ' HE2' ' HA ' ' A' ' 119' ' ' ILE . 41.3 mttp -66.57 -46.22 76.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.233 178.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.405 ' HB2' ' O ' ' A' ' 96' ' ' LYS . 6.5 mmtp 67.88 75.73 0.28 Allowed 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.703 -178.284 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 35.5 m -130.22 166.59 27.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.957 -179.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 20.6 mttp -80.59 68.95 6.99 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.96 0.409 . . . . 0.0 111.422 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 68.4 mt -137.31 109.14 6.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.379 179.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.05 151.72 41.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.853 0.359 . . . . 0.0 110.497 179.473 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.49 127.81 32.69 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.129 0.49 . . . . 0.0 112.258 -179.008 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -64.55 145.41 56.18 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 177.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 22.1 mmtm -98.43 -41.07 7.97 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.853 0.359 . . . . 0.0 111.073 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 76.5 p -54.65 -29.86 53.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.075 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -47.79 152.99 0.66 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.699 -179.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -120.66 24.92 10.04 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.267 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 12.8 p80 -165.98 156.88 13.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.283 -178.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 95.8 mt -116.81 73.1 0.85 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.46 179.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -132.24 109.4 9.89 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.954 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 49.2 pt -92.18 164.19 2.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.911 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 7.3 p -84.02 161.4 20.74 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.474 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.47 -35.55 76.16 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.994 0.426 . . . . 0.0 110.547 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 56.4 t80 -49.81 -62.37 1.6 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.773 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 18.7 m80 -64.49 -28.81 69.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.514 -179.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 7.9 ttpp -61.8 -54.35 43.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.946 0.403 . . . . 0.0 110.444 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -66.4 -42.09 88.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.794 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.551 HD23 ' O ' ' A' ' 118' ' ' LEU . 4.5 tt -60.94 -41.72 96.81 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.709 -179.089 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.608 HG21 HG23 ' A' ' 89' ' ' ILE . 78.8 mt -82.0 -52.72 13.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 -178.046 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -57.35 -26.17 60.57 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.252 0.834 . . . . 0.0 113.252 -178.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 4.9 m . . . . . 0 N--CA 1.451 -0.384 0 N-CA-C 114.824 1.416 . . . . 0.0 114.824 -176.597 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.917 0.389 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.2 mp -120.25 149.06 42.89 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.618 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.429 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 53.9 t -54.31 151.63 7.23 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.217 -179.512 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 71.7 m -121.26 30.78 6.63 Favored 'General case' 0 CA--C 1.529 0.156 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -178.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 73.7 mt -114.18 155.38 26.19 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 178.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.441 ' O ' ' HA ' ' A' ' 100' ' ' ILE . 7.2 mtp180 -125.35 140.62 52.65 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.758 0.313 . . . . 0.0 110.848 -179.599 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.415 ' HG2' ' OD1' ' A' ' 72' ' ' ASP . 17.8 tt0 -116.53 110.05 18.06 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.025 179.476 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.415 ' OD1' ' HG2' ' A' ' 71' ' ' GLU . 4.4 m-20 64.11 35.54 10.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.005 0.431 . . . . 0.0 110.282 -179.128 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 83.42 -5.29 78.27 Favored Glycine 0 CA--C 1.52 0.404 0 C-N-CA 120.892 -0.671 . . . . 0.0 112.903 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -104.36 133.89 48.5 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-O 120.957 0.408 . . . . 0.0 111.225 -179.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.48 173.55 0.38 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.082 -179.426 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.429 ' HB3' ' HB3' ' A' ' 67' ' ' CYS . 37.8 t -92.61 -60.9 1.71 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.366 179.073 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 95.14 -35.55 4.21 Favored Glycine 0 C--N 1.331 0.266 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.905 179.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 20.9 ttt180 -58.39 146.15 35.81 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 179.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.1 145.98 54.76 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.909 0.385 . . . . 0.0 111.395 -179.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.25 159.15 4.75 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.227 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -117.23 -146.65 8.38 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.616 -0.802 . . . . 0.0 113.713 -179.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -103.99 0.29 29.76 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -178.58 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -96.6 169.69 9.72 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.949 0.404 . . . . 0.0 111.268 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 82.9 p -130.32 157.92 41.23 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.795 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -83.69 97.48 9.13 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.715 179.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 52.1 p -102.66 -173.13 2.25 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.682 -178.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.402 ' HG2' ' H ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -76.1 -38.35 57.05 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.968 178.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -52.42 -45.03 65.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.161 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.471 HG23 HG21 ' A' ' 119' ' ' ILE . 25.4 mt -68.08 -39.77 81.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.062 179.204 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -55.09 -50.85 68.13 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.515 178.581 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.0 tptp -58.99 -50.52 73.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.337 178.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.43 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 43.8 t -48.93 -44.53 40.58 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.242 179.593 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 82.0 mt -65.82 -46.04 89.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.312 179.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 69.6 m -55.04 -38.31 67.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.209 -179.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -69.1 -40.16 78.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.916 0.388 . . . . 0.0 110.053 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.43 ' HG3' ' O ' ' A' ' 92' ' ' SER . 12.2 mtpp -73.54 -28.72 62.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.624 178.412 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 15.8 tptt 53.65 74.86 0.29 Allowed 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.631 -179.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 18.6 m -122.86 175.75 5.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.359 -179.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 55.7 mttm -92.32 55.44 2.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.255 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.441 ' HA ' ' O ' ' A' ' 70' ' ' ARG . 69.3 mt -119.7 118.21 56.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.433 179.161 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -130.77 176.58 8.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.053 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -101.32 125.91 48.01 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.911 -178.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 61.8 t0 -67.76 121.75 16.62 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 178.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.411 ' HB3' ' NZ ' ' A' ' 104' ' ' LYS . 0.3 OUTLIER -80.1 -18.77 49.05 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -178.675 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 75.7 m -68.56 -10.56 56.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.766 -0.197 . . . . 0.0 111.471 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -78.66 -176.16 4.74 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-O 121.015 0.436 . . . . 0.0 112.037 -179.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -130.7 -43.84 1.1 Allowed 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.928 179.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 34.1 p80 -91.81 175.85 6.74 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.651 -179.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 6.3 mt -133.23 79.73 1.85 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.942 179.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -145.64 103.9 3.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.274 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 32.0 pt -79.15 169.4 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.985 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 20.0 p -81.93 169.35 16.89 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.484 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.15 -37.46 81.06 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.095 0.474 . . . . 0.0 110.303 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 79.8 t80 -52.2 -61.19 2.43 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.398 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 8.9 m170 -60.33 -41.87 94.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.683 -179.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 6.6 ttpp -52.72 -53.68 44.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.018 0.437 . . . . 0.0 110.734 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -64.45 -36.29 83.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.085 -179.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.446 HD23 ' O ' ' A' ' 118' ' ' LEU . 5.3 tt -62.34 -48.24 80.7 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.871 -179.132 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.471 HG21 HG23 ' A' ' 89' ' ' ILE . 56.4 mt -80.47 -40.15 19.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -177.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -66.24 -38.83 88.81 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.666 0.987 . . . . 0.0 113.666 -177.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 28.9 p . . . . . 0 N--CA 1.468 0.444 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 -176.319 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 . . . . . 0 N--CA 1.454 -0.243 0 CA-C-O 120.786 0.327 . . . . 0.0 110.293 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.781 HD12 ' HA ' ' A' ' 79' ' ' ALA . 1.3 tp -118.35 159.87 22.65 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.046 0.45 . . . . 0.0 111.929 179.637 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 42.7 t -67.96 140.45 56.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.899 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 91.5 m -108.15 41.07 1.62 Allowed 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -178.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.53 HD11 HG21 ' A' ' 111' ' ' ILE . 80.2 mt -130.69 154.62 47.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.866 0.365 . . . . 0.0 110.607 177.776 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 45.6 mtp85 -119.53 118.28 30.62 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.867 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -90.24 126.46 35.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.823 0.344 . . . . 0.0 110.258 179.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 54.0 27.7 7.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.578 -179.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 89.22 -4.59 84.46 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.776 -0.726 . . . . 0.0 113.099 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -111.41 143.34 42.39 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.039 0.447 . . . . 0.0 111.575 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.6 tpp85 -53.07 161.51 0.81 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.601 -0.727 . . . . 0.0 112.1 -178.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 24.0 t -79.09 -67.99 0.7 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.461 179.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 102.16 -22.25 38.62 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.531 -0.842 . . . . 0.0 112.624 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 55.5 ttt85 -83.38 135.36 34.73 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.781 ' HA ' HD12 ' A' ' 66' ' ' LEU . . . -57.89 154.12 12.81 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.071 0.463 . . . . 0.0 111.536 -178.665 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.45 149.15 44.47 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.713 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -104.38 -114.03 3.9 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.771 -0.728 . . . . 0.0 113.498 -179.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -125.74 -28.48 3.24 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -178.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.98 176.7 0.19 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.133 0.492 . . . . 0.0 111.891 -179.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 60.7 p -144.0 141.53 30.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.937 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -70.11 94.02 0.86 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.856 179.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 92.0 p -97.55 -168.67 1.72 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.789 -178.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.3 mtmp? -78.02 -40.26 39.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.828 179.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.4 -38.58 74.52 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.612 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.529 HG23 HG21 ' A' ' 119' ' ' ILE . 40.1 mt -69.58 -34.79 63.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.237 179.321 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -66.36 -45.14 81.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.759 178.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.86 -45.61 91.78 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.945 178.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.3 m -56.86 -47.69 79.8 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.095 179.092 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.423 HG23 ' CG2' ' A' ' 98' ' ' VAL . 85.6 mt -60.23 -40.87 84.96 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.862 178.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.35 -45.55 91.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.967 -179.727 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.447 ' OE1' ' HA ' ' A' ' 95' ' ' GLN . 5.9 tp60 -64.3 -37.39 87.31 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.991 0.424 . . . . 0.0 109.935 179.541 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -70.51 -35.82 73.43 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 178.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 61.06 81.4 0.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.063 -0.971 . . . . 0.0 109.578 -178.444 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.423 ' CG2' HG23 ' A' ' 93' ' ' ILE . 28.8 m -133.66 174.09 13.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.112 -179.056 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 32.8 mttm -96.47 65.73 2.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.406 -179.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 60.0 mt -133.49 109.18 13.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.26 179.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -127.8 168.49 15.08 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.054 0.454 . . . . 0.0 110.748 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 31.2 tp -83.19 138.08 33.78 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.328 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -79.65 143.56 34.54 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.536 -0.912 . . . . 0.0 108.536 179.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -97.79 -2.64 40.6 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 -178.536 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 56.7 m -87.91 -14.52 39.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.692 0.282 . . . . 0.0 111.105 179.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -68.6 -158.37 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.986 0.422 . . . . 0.0 111.811 -179.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -147.56 -37.38 0.2 Allowed 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.151 -179.534 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 8.0 p80 -114.86 170.65 8.18 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 116.141 -0.482 . . . . 0.0 112.027 -179.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 58.9 mt -116.4 72.2 0.81 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.01 178.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -131.31 96.17 3.95 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.041 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.53 HG21 HD11 ' A' ' 69' ' ' LEU . 32.1 pt -79.74 174.66 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.96 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 24.9 p -86.74 175.69 8.12 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.301 179.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -73.18 -34.81 66.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.057 0.456 . . . . 0.0 110.243 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -51.62 -61.07 2.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.432 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 21.5 m170 -65.72 -31.73 72.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.779 -179.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 10.9 ttpp -60.12 -54.25 48.18 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.978 0.418 . . . . 0.0 110.802 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -70.04 -37.88 75.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.599 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.626 HD23 ' O ' ' A' ' 118' ' ' LEU . 5.6 tt -59.77 -44.17 94.0 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.796 -179.277 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.529 HG21 HG23 ' A' ' 89' ' ' ILE . 71.5 mt -83.07 -41.6 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 113.345 0.869 . . . . 0.0 113.345 -177.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -63.9 -35.23 79.97 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 113.458 0.91 . . . . 0.0 113.458 -178.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 86.2 p . . . . . 0 N--CA 1.465 0.302 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 -175.964 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 . . . . . 0 CA--C 1.521 -0.17 0 CA-C-O 120.898 0.38 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.59 147.53 43.63 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.25 0.548 . . . . 0.0 111.936 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.418 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 45.1 t -48.51 158.74 0.26 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.331 -0.849 . . . . 0.0 111.37 -179.599 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 84.4 m -132.86 28.37 4.21 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.695 -179.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.506 HD11 HG21 ' A' ' 111' ' ' ILE . 54.9 mt -114.07 167.01 11.04 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 178.739 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 44.2 mtp85 -129.6 137.1 50.52 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.957 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -113.31 104.29 12.17 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.929 179.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 72.37 37.52 0.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.284 -178.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 80.88 0.77 88.98 Favored Glycine 0 N--CA 1.448 -0.53 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.969 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -114.19 152.79 30.67 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.348 0.594 . . . . 0.0 112.117 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.96 169.19 5.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.03 -0.986 . . . . 0.0 111.963 -178.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.418 ' HB3' ' HB3' ' A' ' 67' ' ' CYS . 24.2 t -94.51 -73.61 0.57 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.502 179.506 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.93 -30.64 8.79 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 120.425 -0.893 . . . . 0.0 112.868 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.44 ' NH1' ' HB2' ' A' ' 114' ' ' TYR . 22.3 ttt180 -66.61 134.71 52.88 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 179.567 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.09 156.17 5.77 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.941 0.4 . . . . 0.0 111.58 -178.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.14 155.09 37.38 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.38 -179.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -112.25 -129.34 5.24 Favored Glycine 0 C--N 1.332 0.355 0 C-N-CA 120.707 -0.759 . . . . 0.0 113.744 -179.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 23.8 p30 -106.57 -19.03 13.79 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -178.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -77.33 170.0 17.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.135 0.493 . . . . 0.0 111.856 -179.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -138.21 156.84 47.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.387 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -80.02 87.29 5.42 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.811 -0.441 . . . . 0.0 109.811 179.091 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 66.9 p -96.28 -169.71 1.96 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.049 -179.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.8 mppp? -78.08 -39.38 41.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.416 178.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.6 tmm_? -53.37 -47.59 69.3 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.798 0.332 . . . . 0.0 110.142 179.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.618 HG23 HG21 ' A' ' 119' ' ' ILE . 23.4 mt -65.96 -39.86 85.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.033 179.221 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.8 -53.52 57.42 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.022 0.439 . . . . 0.0 110.167 179.396 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.29 -35.73 76.24 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.22 179.589 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.454 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 36.1 m -60.32 -52.24 66.11 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.795 178.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 89' ' ' ILE . 82.5 mt -57.29 -40.86 76.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.267 179.071 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.412 ' O ' ' HG2' ' A' ' 97' ' ' LYS . 2.8 m -60.53 -33.91 73.34 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.234 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.63 -32.29 63.97 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.337 179.194 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.454 ' HG3' ' O ' ' A' ' 92' ' ' SER . 1.6 mtpm? -77.63 -33.06 53.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.835 178.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.412 ' HG2' ' O ' ' A' ' 94' ' ' SER . 30.3 mmtt 57.14 71.44 0.58 Allowed 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.248 -178.355 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 31.6 m -125.31 170.76 14.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.395 -179.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 7.8 mmtp -82.95 56.38 3.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.422 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 42.6 mt -132.16 117.97 34.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.414 179.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -141.89 166.15 25.52 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.726 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.87 131.95 34.2 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.751 -179.501 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -79.7 147.04 32.11 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 177.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -92.3 -14.68 28.46 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -178.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.4 p -71.99 -31.02 65.84 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.748 0.309 . . . . 0.0 111.277 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -49.06 131.78 19.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.155 0.503 . . . . 0.0 111.556 -179.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 18.4 ttp180 -75.11 -17.41 60.44 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.043 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 26.2 p80 -146.14 -177.33 5.55 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.977 0.418 . . . . 0.0 111.154 -179.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 94.0 mt -103.74 -127.36 0.23 Allowed 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 178.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 57.25 115.12 0.01 OUTLIER 'General case' 0 C--N 1.339 0.14 0 CA-C-O 121.278 0.561 . . . . 0.0 111.702 179.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.506 HG21 HD11 ' A' ' 69' ' ' LEU . 33.7 pt -102.02 164.75 3.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.475 179.409 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 13.7 p -71.89 159.23 34.63 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.629 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.61 -29.64 69.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.076 0.465 . . . . 0.0 110.246 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.44 ' HB2' ' NH1' ' A' ' 78' ' ' ARG . 33.1 t80 -58.47 -62.14 2.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.498 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 10.8 m80 -61.12 -39.17 89.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.591 -179.102 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 6.3 ttpp -54.42 -53.42 54.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.046 0.45 . . . . 0.0 110.627 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -65.89 -33.78 76.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.163 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.449 HD23 ' O ' ' A' ' 118' ' ' LEU . 5.5 tt -67.18 -39.8 86.49 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.615 -179.291 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.618 HG21 HG23 ' A' ' 89' ' ' ILE . 73.4 mt -85.24 -42.94 16.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -178.071 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -60.52 -34.83 74.69 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -178.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 21.5 t . . . . . 0 N--CA 1.467 0.423 0 N-CA-C 114.395 1.257 . . . . 0.0 114.395 -176.528 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.263 0 CA-C-O 120.771 0.32 . . . . 0.0 110.414 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.445 ' HA ' ' HA ' ' A' ' 79' ' ' ALA . 3.9 mp -111.12 140.88 45.3 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.273 0.558 . . . . 0.0 111.859 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.434 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 35.2 t -39.94 158.08 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.115 -0.948 . . . . 0.0 111.631 -179.674 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 29.6 p -125.0 39.4 3.99 Favored 'General case' 0 CA--C 1.529 0.144 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 -179.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 54.2 mt -130.44 139.73 50.57 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 178.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 43.9 mtp180 -110.85 126.39 54.61 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.894 0.378 . . . . 0.0 111.092 -179.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -102.62 108.5 19.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.806 178.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 64.88 35.63 8.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.399 -179.007 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 81.64 -6.13 66.58 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 121.007 -0.616 . . . . 0.0 113.087 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -101.48 131.76 47.45 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.058 0.456 . . . . 0.0 111.257 -179.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.9 tpp85 -65.18 140.92 58.81 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.996 -178.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.434 ' HB3' ' HB3' ' A' ' 67' ' ' CYS . 7.7 t -56.62 -62.58 1.63 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.644 179.625 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 99.4 -48.01 1.3 Allowed Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.674 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 35.5 ttt-85 -53.84 136.04 41.01 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.445 ' HA ' ' HA ' ' A' ' 66' ' ' LEU . . . -54.62 151.38 8.14 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.815 0.34 . . . . 0.0 111.525 -178.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.51 169.11 1.86 Allowed 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.481 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.415 ' N ' ' HA ' ' A' ' 112' ' ' CYS . . . -127.11 -155.44 8.84 Favored Glycine 0 C--N 1.335 0.478 0 C-N-CA 120.596 -0.811 . . . . 0.0 113.595 -179.249 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -94.59 27.25 3.09 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 112.13 0.419 . . . . 0.0 112.13 -178.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -126.83 148.05 49.99 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.888 0.375 . . . . 0.0 111.625 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 43.4 p -115.89 142.89 46.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.595 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -66.32 121.71 15.85 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.674 178.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 80.2 p -127.37 -166.17 1.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.872 0.367 . . . . 0.0 111.35 -178.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 20.6 mttp -77.22 -41.4 41.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.396 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.412 ' HD2' ' N ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -52.66 -55.99 18.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.111 179.35 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.958 HG23 HG21 ' A' ' 119' ' ' ILE . 60.1 mt -53.74 -43.73 56.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.081 179.401 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 8.4 tm0? -56.51 -48.43 77.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.931 178.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.35 -46.48 88.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.651 179.324 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.405 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 7.1 t -52.35 -50.72 61.8 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.813 178.707 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.41 HG23 ' CG2' ' A' ' 98' ' ' VAL . 72.6 mt -57.01 -41.02 76.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.234 178.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 16.3 t -62.16 -41.8 98.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.21 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -71.67 -41.65 68.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.901 0.381 . . . . 0.0 110.155 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.405 ' HG3' ' O ' ' A' ' 92' ' ' SER . 5.2 mtpm? -66.06 -41.22 91.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.032 178.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 12.9 mttm 70.46 74.91 0.21 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.386 -0.824 . . . . 0.0 109.629 -178.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.41 ' CG2' HG23 ' A' ' 93' ' ' ILE . 18.2 m -132.38 166.2 29.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.303 -179.191 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 15.6 mmtm -86.45 55.38 3.53 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.489 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 50.3 mt -118.63 104.46 16.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.907 0.384 . . . . 0.0 110.404 179.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -127.82 154.82 44.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.456 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.61 139.16 40.52 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.901 -179.236 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -82.03 144.06 31.11 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 178.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.52 -22.2 20.5 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -178.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.5 p -60.8 -38.63 86.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.845 0.355 . . . . 0.0 111.124 -179.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -59.22 -170.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.682 -179.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -141.61 -50.06 0.4 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.347 -179.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . 0.414 ' HB2' ' CE2' ' A' ' 110' ' ' TYR . 18.3 p80 -80.95 174.24 11.82 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.272 -179.07 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 109' ' ' LEU . 29.9 mt -129.47 82.33 2.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.238 178.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.414 ' CE2' ' HB2' ' A' ' 108' ' ' HIS . 86.5 m-85 -141.03 113.5 8.11 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.761 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 43.7 pt -97.98 154.06 3.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.112 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . 0.415 ' HA ' ' N ' ' A' ' 81' ' ' GLY . 7.0 p -67.95 161.88 25.55 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.623 179.533 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.35 -38.12 85.8 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.08 0.467 . . . . 0.0 110.332 179.703 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -48.84 -59.43 3.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.451 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -64.16 -33.59 76.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.843 -179.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 16.2 ttpp -59.14 -53.0 63.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.061 0.458 . . . . 0.0 110.491 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -67.31 -37.46 83.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.092 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.526 HD23 ' O ' ' A' ' 118' ' ' LEU . 4.6 tt -64.4 -44.11 92.32 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.655 -179.274 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.958 HG21 HG23 ' A' ' 89' ' ' ILE . 60.0 mt -81.47 -45.04 20.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 -178.321 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -62.35 -32.77 73.6 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -178.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 74.2 m . . . . . 0 N--CA 1.45 -0.45 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 -176.696 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 58.3 mm-40 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.972 0.415 . . . . 0.0 111.543 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 57.1 mt -107.89 149.32 28.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.809 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 35.1 t -45.39 144.66 1.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.074 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.8 p -111.94 35.05 3.87 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -179.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.401 HD12 ' ND1' ' A' ' 115' ' ' HIS . 86.5 mt -119.36 160.95 21.3 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 178.112 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.418 ' HG2' ' HD3' ' A' ' 75' ' ' ARG . 42.6 mtp180 -129.83 122.83 29.5 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.239 -179.541 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -105.14 100.34 9.93 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 178.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 60.14 39.43 19.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.502 -179.205 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.403 ' HA2' ' NH2' ' A' ' 70' ' ' ARG . . . 89.14 -3.79 84.43 Favored Glycine 0 CA--C 1.519 0.315 0 C-N-CA 120.879 -0.677 . . . . 0.0 113.173 179.679 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -96.03 111.45 23.46 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 117.107 0.453 . . . . 0.0 110.971 -179.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.418 ' HD3' ' HG2' ' A' ' 70' ' ' ARG . 14.1 tpp85 -70.8 61.84 0.26 Allowed 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.795 -179.006 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 4.3 t 32.43 -88.88 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 179.211 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 117.57 -29.48 6.63 Favored Glycine 0 C--N 1.336 0.548 0 C-N-CA 120.419 -0.896 . . . . 0.0 113.029 -179.347 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 48.9 ttt-85 -68.86 147.47 51.66 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.755 0.312 . . . . 0.0 110.623 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.88 154.02 12.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.716 -179.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.68 150.19 36.36 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.254 179.163 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -106.03 -140.58 10.06 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.48 -0.867 . . . . 0.0 113.973 -178.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -112.23 24.59 12.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.521 -0.339 . . . . 0.0 111.534 -178.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.456 ' HB2' ' HD3' ' A' ' 116' ' ' LYS . . . -115.32 167.67 10.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.999 0.428 . . . . 0.0 111.554 -179.647 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 55.7 p -129.84 153.8 47.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.693 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -85.53 113.71 21.99 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.876 179.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 78.6 p -116.95 -169.36 1.63 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.157 0.503 . . . . 0.0 111.262 -179.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.64 -37.87 55.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.3 178.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? -52.79 -42.74 65.33 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.889 -0.412 . . . . 0.0 109.889 178.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.403 ' O ' HG13 ' A' ' 93' ' ' ILE . 63.2 mt -66.25 -41.27 88.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.712 178.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -56.95 -52.04 66.78 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-O 121.621 0.724 . . . . 0.0 109.299 178.467 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.8 mmtp -54.38 -48.19 71.81 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 114.627 -1.17 . . . . 0.0 109.728 178.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.407 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 27.8 t -56.84 -39.8 74.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.248 178.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 89' ' ' ILE . 89.9 mt -65.44 -45.36 93.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.292 179.271 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 13.6 t -57.54 -36.85 72.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.35 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 11.1 tp60 -72.23 -50.65 25.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.852 0.358 . . . . 0.0 110.42 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.635 ' HE2' HG23 ' A' ' 119' ' ' ILE . 16.3 mttm -59.94 -42.65 94.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.053 0.454 . . . . 0.0 110.578 179.189 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.421 ' HB2' ' O ' ' A' ' 96' ' ' LYS . 3.2 mtmt 68.9 76.87 0.23 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.616 -178.051 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 32.8 m -131.83 175.69 10.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.966 -179.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.95 64.38 2.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.884 0.373 . . . . 0.0 111.354 -179.571 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 45.1 mt -133.44 104.77 6.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.273 179.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -130.06 152.06 49.93 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.056 0.455 . . . . 0.0 110.972 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 17.4 tp -71.97 145.5 48.35 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.61 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -92.53 113.19 25.4 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 177.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 3.0 mmmm -75.34 -5.22 43.63 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -178.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 58.3 m -77.77 -19.36 55.21 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.625 0.25 . . . . 0.0 111.223 179.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -79.34 -157.38 0.13 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.699 -179.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.4 ptp85 -146.49 -49.3 0.2 Allowed 'General case' 0 N--CA 1.456 -0.136 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.161 -179.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 15.0 p80 -80.39 152.03 29.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.506 -179.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 79.4 mt -116.03 84.06 2.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.104 178.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -143.58 108.24 4.87 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.356 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 34.2 pt -91.68 160.86 2.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.991 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 9.4 p -76.69 155.31 33.44 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.583 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -56.4 -31.8 64.22 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.124 0.488 . . . . 0.0 110.156 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 79.8 t80 -53.87 -60.64 3.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.244 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . 0.401 ' ND1' HD12 ' A' ' 69' ' ' LEU . 16.4 m170 -65.32 -32.53 74.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.763 -179.314 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.456 ' HD3' ' HB2' ' A' ' 83' ' ' ALA . 16.4 ttpp -60.08 -52.97 63.07 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.982 0.42 . . . . 0.0 110.589 179.686 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -66.99 -41.06 87.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.895 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.464 HD23 ' O ' ' A' ' 118' ' ' LEU . 6.0 tt -59.57 -42.16 91.81 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.024 -179.008 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.635 HG23 ' HE2' ' A' ' 96' ' ' LYS . 54.1 mt -87.3 -43.99 15.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 -177.708 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -64.71 -47.25 79.03 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 -178.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.6 t . . . . . 0 N--CA 1.467 0.413 0 N-CA-C 114.684 1.364 . . . . 0.0 114.684 -174.969 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 44.2 mm-40 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 121.08 0.467 . . . . 0.0 111.421 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 26.2 mt -123.45 156.94 34.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.496 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 44.8 t -48.38 156.88 0.38 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.84 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 17.3 p -120.08 24.5 10.43 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.846 0.355 . . . . 0.0 111.62 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 63.8 mt -117.31 148.77 41.4 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 178.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.444 ' HG2' ' HD3' ' A' ' 75' ' ' ARG . 68.2 mtp180 -111.29 133.81 53.35 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.795 0.331 . . . . 0.0 111.389 -179.502 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -115.49 111.31 20.56 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.981 179.14 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 56.18 30.42 16.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.689 -179.235 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 96.85 -16.64 60.64 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.859 -0.686 . . . . 0.0 113.307 179.349 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -86.54 137.09 32.79 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.119 0.485 . . . . 0.0 111.722 -179.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.503 ' O ' ' N ' ' A' ' 77' ' ' GLY . 6.3 tpp85 -80.78 59.24 3.6 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.562 -178.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 7.5 t 45.15 -78.79 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 179.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 103.78 -15.31 52.55 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.308 -179.361 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 10.2 ttt180 -87.69 141.48 28.57 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.871 0.367 . . . . 0.0 110.576 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.53 158.49 1.78 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.69 -179.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -83.41 154.11 24.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.893 178.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -109.94 -106.6 3.0 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.176 -1.012 . . . . 0.0 113.891 -178.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -135.21 -37.74 0.78 Allowed 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -178.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.71 165.45 0.6 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.131 0.491 . . . . 0.0 111.875 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 96.2 p -136.2 137.3 40.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.739 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -59.8 137.71 57.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.924 179.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 88.4 p -144.64 -163.58 1.73 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.05 -179.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.3 mmtm -78.71 -36.7 43.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.497 179.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.47 -41.05 93.38 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.706 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.772 HG23 HG21 ' A' ' 119' ' ' ILE . 9.7 mt -69.3 -37.2 75.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 178.495 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.34 -44.99 95.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.796 178.776 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.72 -40.14 91.91 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.256 179.512 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.7 m -61.05 -44.48 97.32 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.068 178.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 95.6 mt -64.23 -46.17 94.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.09 179.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.0 -47.16 68.49 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.165 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 63.2 tp60 -66.98 -30.62 70.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.038 0.447 . . . . 0.0 110.182 179.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.426 ' HE2' ' HA ' ' A' ' 119' ' ' ILE . 42.4 mttp -72.57 -51.07 21.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.404 179.009 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 2.5 tptm 73.42 61.23 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.316 -178.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 27.4 m -117.58 167.91 10.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.411 -179.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 6.9 mmtp -82.09 52.94 2.09 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.236 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.405 ' HA ' ' O ' ' A' ' 70' ' ' ARG . 54.7 mt -134.73 105.34 6.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.454 179.616 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -136.98 151.24 48.77 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.891 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.5 tp -64.74 140.1 58.83 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.667 -179.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.421 ' HB2' ' HD2' ' A' ' 70' ' ' ARG . 43.9 t0 -101.71 147.36 26.54 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 177.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.4 ' HE3' ' HA ' ' A' ' 104' ' ' LYS . 0.1 OUTLIER -90.4 -13.56 34.72 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -178.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.4 p -64.75 -21.66 66.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.802 0.334 . . . . 0.0 110.967 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -75.41 -172.22 1.71 Allowed 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 121.091 0.472 . . . . 0.0 111.898 -179.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.87 -56.76 0.73 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.105 -179.671 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 28.8 p80 -80.45 151.94 29.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.935 -178.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 83.8 mt -108.13 76.42 1.04 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.684 178.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -140.35 124.43 17.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.044 -179.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 30.0 pt -103.56 166.46 2.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.009 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 9.7 p -84.23 165.19 18.57 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.419 179.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -63.4 -33.23 75.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.007 0.432 . . . . 0.0 110.395 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -55.56 -61.21 2.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.242 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 21.9 m170 -66.68 -36.61 82.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.61 -179.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 10.2 ttpp -56.28 -52.53 64.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.93 0.395 . . . . 0.0 110.31 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -65.19 -44.92 86.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.073 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.53 HD23 ' O ' ' A' ' 118' ' ' LEU . 5.2 tt -55.21 -49.64 71.42 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.832 -179.175 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.772 HG21 HG23 ' A' ' 89' ' ' ILE . 60.0 mt -78.05 -42.93 28.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 113.404 0.89 . . . . 0.0 113.404 -177.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -62.86 -30.77 71.76 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 -178.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.533 0.294 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 -176.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 . . . . . 0 N--CA 1.454 -0.245 0 CA-C-O 120.925 0.393 . . . . 0.0 110.41 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 62.6 mt -109.21 169.63 8.56 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.304 179.385 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.413 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 39.4 t -62.75 141.78 58.44 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.411 179.742 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 26.9 p -105.11 34.38 3.24 Favored 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -179.104 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 51.0 mt -114.73 164.02 14.65 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 178.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 25.8 mtp-105 -131.45 102.81 6.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.709 0.29 . . . . 0.0 111.056 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -92.02 102.46 15.01 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.025 179.092 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 66.55 39.46 3.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.701 -179.133 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 82.83 -13.98 39.94 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.848 -0.691 . . . . 0.0 113.14 179.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -85.35 129.83 34.72 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.023 0.44 . . . . 0.0 110.883 -179.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.496 ' O ' ' N ' ' A' ' 77' ' ' GLY . 7.5 tpp85 -82.48 63.28 6.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.371 -178.473 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.413 ' HB3' ' HB3' ' A' ' 67' ' ' CYS . 7.6 t 32.4 -83.83 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 178.609 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 104.79 -17.64 45.2 Favored Glycine 0 C--N 1.336 0.556 0 C-N-CA 120.591 -0.814 . . . . 0.0 113.014 179.644 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 32.4 ttm180 -80.5 157.72 26.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.883 0.373 . . . . 0.0 110.663 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.78 142.77 57.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.959 -179.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.71 154.63 41.22 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.08 179.107 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -114.17 -141.88 7.87 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.366 -0.921 . . . . 0.0 113.909 -178.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -93.97 -33.11 13.58 Favored 'General case' 0 C--N 1.333 -0.113 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -178.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.428 ' HB2' ' HD3' ' A' ' 116' ' ' LYS . . . -65.81 152.06 45.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.063 0.459 . . . . 0.0 111.86 -179.137 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 24.6 p -114.55 -179.19 3.56 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.143 179.294 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.479 ' CD2' HD13 ' A' ' 102' ' ' LEU . 85.2 t80 -108.11 92.13 3.94 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 178.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 86.5 p -92.6 -170.14 2.39 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.76 -178.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.47 -40.9 41.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.828 179.594 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.469 ' NE ' HG13 ' A' ' 89' ' ' ILE . 0.0 OUTLIER -52.91 -46.79 68.21 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.792 179.697 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.469 HG13 ' NE ' ' A' ' 88' ' ' ARG . 58.6 mt -62.31 -40.56 88.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.807 0.337 . . . . 0.0 110.104 179.633 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 11.5 tm0? -59.57 -51.4 69.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.811 179.029 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.39 -38.9 74.99 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.62 179.163 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.423 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 52.3 m -64.89 -36.42 84.29 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.891 179.047 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 96.7 mt -74.71 -29.17 22.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.018 178.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 47.5 t -68.75 -56.39 8.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.086 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -52.11 -24.04 6.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.888 0.375 . . . . 0.0 110.297 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' A' ' 92' ' ' SER . 33.1 mttm -89.67 -47.82 7.68 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-O 121.301 0.572 . . . . 0.0 110.044 178.541 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 70.1 81.43 0.17 Allowed 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.367 -178.587 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 28.0 m -130.04 169.01 21.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.229 -179.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 8.9 mttp -80.68 61.51 4.39 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.928 0.394 . . . . 0.0 111.297 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 74.4 mt -142.92 104.9 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.363 179.261 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -132.07 165.99 22.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.267 179.621 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.479 HD13 ' CD2' ' A' ' 85' ' ' PHE . 0.6 OUTLIER -82.55 120.85 26.04 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.002 0.43 . . . . 0.0 111.766 -179.71 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -61.17 112.59 2.18 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 178.281 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 14.6 mmtp -66.56 -24.38 66.35 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -179.099 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 10.4 p -58.97 -34.43 71.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.796 0.331 . . . . 0.0 111.034 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -70.92 -173.67 0.83 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.139 0.495 . . . . 0.0 112.049 -179.069 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.7 mtp180 -132.68 -59.99 0.89 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.702 -179.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -60.72 158.04 13.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.934 -178.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 71.5 mt -120.9 84.6 2.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.761 178.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -148.64 117.83 6.84 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.245 -179.571 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 34.2 pt -103.57 157.98 5.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 23.5 p -74.14 161.87 29.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.525 179.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.39 -33.63 75.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.022 0.439 . . . . 0.0 110.285 179.531 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -51.85 -60.95 2.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.157 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 12.1 m80 -63.19 -42.98 99.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.728 -179.175 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.428 ' HD3' ' HB2' ' A' ' 83' ' ' ALA . 7.5 ttpp -53.03 -48.93 67.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.097 0.475 . . . . 0.0 110.496 179.664 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -68.98 -37.89 79.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.157 -179.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.492 HD23 ' O ' ' A' ' 118' ' ' LEU . 5.2 tt -64.16 -41.07 97.3 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.684 -179.25 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 59.8 mt -84.3 -34.42 9.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 113.312 0.856 . . . . 0.0 113.312 -177.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -73.19 -34.45 65.98 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 113.328 0.862 . . . . 0.0 113.328 -178.263 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 16.4 m . . . . . 0 C--N 1.328 -0.353 0 N-CA-C 115.065 1.506 . . . . 0.0 115.065 -176.119 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 34.0 mm-40 . . . . . 0 N--CA 1.456 -0.137 0 CA-C-O 120.855 0.36 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 70.5 mt -111.87 138.38 48.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.501 179.02 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.424 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 17.5 t -44.66 138.59 3.3 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.978 179.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 24.6 p -102.93 37.21 2.0 Favored 'General case' 0 N--CA 1.462 0.173 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -179.029 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 67.6 mt -118.03 149.07 41.58 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 178.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.454 ' HG2' ' HD3' ' A' ' 75' ' ' ARG . 19.9 mtm180 -121.66 111.42 17.17 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.562 -179.432 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -96.54 108.27 20.82 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 178.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 61.08 24.14 14.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.784 -179.03 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 100.13 0.19 56.01 Favored Glycine 0 C--N 1.333 0.38 0 C-N-CA 120.884 -0.674 . . . . 0.0 113.428 179.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.435 ' O ' ' HA ' ' A' ' 70' ' ' ARG . 0.1 OUTLIER -98.9 121.0 40.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 117.164 0.482 . . . . 0.0 111.118 -179.555 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.572 ' O ' ' N ' ' A' ' 77' ' ' GLY . 0.0 OUTLIER -74.53 55.02 0.62 Allowed 'General case' 0 C--O 1.222 -0.345 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.549 -179.004 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.424 ' HB3' ' HB3' ' A' ' 67' ' ' CYS . 4.5 t 44.45 -69.67 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 -179.727 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.572 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 98.54 -33.83 5.75 Favored Glycine 0 N--CA 1.449 -0.475 0 N-CA-C 110.484 -1.046 . . . . 0.0 110.484 -178.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.424 ' HD3' ' HB2' ' A' ' 112' ' ' CYS . 13.3 ttt85 -62.82 144.15 56.85 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 114.942 -0.629 . . . . 0.0 110.142 179.227 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.17 156.37 34.28 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.45 -179.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.33 152.05 42.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.948 179.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -108.06 -125.44 5.27 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.365 -0.921 . . . . 0.0 113.964 -178.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -111.74 -29.33 7.74 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -178.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -73.6 168.15 19.9 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.153 0.501 . . . . 0.0 112.08 -178.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -126.72 171.38 11.23 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.194 179.645 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -92.88 107.69 19.42 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 178.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 88.2 p -112.63 -167.67 1.22 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.198 0.523 . . . . 0.0 111.875 -178.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.54 -44.34 24.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.099 -179.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? -51.76 -43.61 63.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.283 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.824 HG23 HG21 ' A' ' 119' ' ' ILE . 15.8 mt -65.07 -39.96 87.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.2 179.244 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -60.02 -52.28 66.06 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.024 0.44 . . . . 0.0 110.076 179.287 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -54.32 -44.53 72.12 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.546 179.432 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 15.2 t -54.76 -52.11 63.6 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.874 178.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 81.0 mt -55.77 -41.02 64.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.244 179.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 67.9 m -64.18 -36.25 83.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.213 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -73.66 -33.49 64.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.901 0.381 . . . . 0.0 110.075 179.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.441 ' HE2' ' HA ' ' A' ' 119' ' ' ILE . 27.6 mttp -78.28 -38.43 42.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.608 178.459 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 63.58 83.44 0.16 Allowed 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.208 -0.906 . . . . 0.0 109.686 -178.6 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 28.6 m -136.04 166.11 27.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.154 -179.238 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.06 56.88 2.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.299 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 51.6 mt -129.13 121.54 54.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.476 179.238 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -146.11 152.33 39.13 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.684 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.41 ' HG ' ' N ' ' A' ' 103' ' ' ASP . 0.4 OUTLIER -66.38 137.98 57.26 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.136 0.493 . . . . 0.0 111.599 -179.681 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.41 ' N ' ' HG ' ' A' ' 102' ' ' LEU . 34.7 t0 -75.92 122.57 24.35 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 177.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.8 mmpt? -85.57 -1.9 57.59 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -179.225 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 81.1 p -98.71 21.46 11.35 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.79 0.329 . . . . 0.0 110.751 179.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -109.17 -172.41 2.04 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 121.176 0.512 . . . . 0.0 111.765 -179.237 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.45 -31.08 1.24 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.772 179.64 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 20.8 p80 -96.33 168.84 10.32 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.173 0.511 . . . . 0.0 111.961 -179.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 77.6 mt -134.79 72.93 1.46 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.71 178.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -142.88 116.75 9.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.172 -179.355 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 28.8 pt -93.17 173.72 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . 0.424 ' HB2' ' HD3' ' A' ' 78' ' ' ARG . 9.0 p -90.72 163.99 14.29 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.568 179.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -59.73 -34.29 72.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.96 0.409 . . . . 0.0 110.796 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -55.47 -62.83 1.42 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.669 -179.536 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 9.2 m80 -61.62 -32.72 72.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.399 -179.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.414 ' O ' ' HB2' ' A' ' 120' ' ' GLN . 10.6 ttpp -61.24 -54.13 48.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.908 0.385 . . . . 0.0 110.462 179.707 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.425 ' O ' ' HB2' ' A' ' 121' ' ' SER . 28.4 t30 -67.06 -26.22 66.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.032 -179.597 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.706 HD23 ' O ' ' A' ' 118' ' ' LEU . 3.9 tt -73.76 -41.08 62.97 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.424 -179.515 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.824 HG21 HG23 ' A' ' 89' ' ' ILE . 46.5 mt -87.31 -36.92 10.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 -178.008 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.414 ' HB2' ' O ' ' A' ' 116' ' ' LYS . 5.0 mm100 -75.11 -39.81 60.37 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 -178.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.425 ' HB2' ' O ' ' A' ' 117' ' ' ASN . 37.6 m . . . . . 0 CA--C 1.533 0.289 0 N-CA-C 115.423 1.638 . . . . 0.0 115.423 -175.457 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 . . . . . 0 CA--C 1.519 -0.216 0 CA-C-O 121.161 0.505 . . . . 0.0 111.675 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.417 ' HA ' ' HA ' ' A' ' 79' ' ' ALA . 0.2 OUTLIER -111.3 139.1 46.97 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.419 179.765 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 49.3 t -45.72 140.99 3.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.283 -0.871 . . . . 0.0 111.498 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 22.4 p -105.84 22.97 14.69 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.604 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 45.0 mt -108.48 146.34 33.33 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 178.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.446 ' HG2' ' HD3' ' A' ' 75' ' ' ARG . 37.1 mtp180 -114.32 131.55 56.49 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.302 -179.282 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -115.55 103.75 11.04 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.663 178.73 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 65.23 17.15 10.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.917 -178.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 112.57 -21.91 18.18 Favored Glycine 0 C--N 1.334 0.463 0 C-N-CA 120.695 -0.764 . . . . 0.0 113.316 179.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -80.34 134.64 36.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.805 0.302 . . . . 0.0 111.58 -179.385 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.535 ' O ' ' N ' ' A' ' 77' ' ' GLY . 0.0 OUTLIER -80.54 56.27 2.55 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.003 -179.417 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 4.4 t 49.32 -71.58 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 179.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.535 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 103.77 -36.88 4.05 Favored Glycine 0 N--CA 1.45 -0.405 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 -178.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 43.6 ttt180 -71.53 140.1 49.76 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 178.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.417 ' HA ' ' HA ' ' A' ' 66' ' ' LEU . . . -66.06 160.61 23.46 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.923 0.392 . . . . 0.0 111.573 -178.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.33 159.77 31.96 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.114 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -123.66 -120.93 2.59 Favored Glycine 0 C--N 1.332 0.33 0 C-N-CA 120.485 -0.864 . . . . 0.0 113.657 -179.178 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -108.02 -42.3 4.71 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -178.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.402 ' HB2' ' CD ' ' A' ' 116' ' ' LYS . . . -53.67 142.94 21.66 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.08 0.467 . . . . 0.0 111.658 -179.214 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 25.1 p -116.96 139.4 50.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.722 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -65.25 124.24 21.67 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.089 179.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.57 -171.22 2.35 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.92 0.39 . . . . 0.0 111.494 -179.322 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -76.75 -37.75 55.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.835 179.74 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.64 -47.4 73.55 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.017 178.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.582 HG23 HG21 ' A' ' 119' ' ' ILE . 67.3 mt -63.32 -35.81 73.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.007 179.012 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -64.37 -47.42 79.36 Favored 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 178.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -58.48 -40.8 83.74 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-N 114.336 -1.302 . . . . 0.0 110.264 178.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.1 m -64.99 -52.49 55.89 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.108 178.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.472 HG23 HG22 ' A' ' 98' ' ' VAL . 91.7 mt -55.96 -35.77 41.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.289 179.108 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.15 -53.13 58.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.15 -179.716 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.28 -40.04 95.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.838 0.351 . . . . 0.0 110.191 179.777 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 33.3 mtpt -67.91 -38.8 83.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.355 0.598 . . . . 0.0 109.834 178.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.419 ' HA ' ' HE3' ' A' ' 97' ' ' LYS . 0.0 OUTLIER 57.86 74.49 0.42 Allowed 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.585 -178.623 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.472 HG22 HG23 ' A' ' 93' ' ' ILE . 19.6 m -120.61 166.53 14.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.194 -179.114 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 5.1 mmtm -76.39 57.63 1.21 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.097 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 46.8 mt -140.52 118.04 9.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.882 0.372 . . . . 0.0 110.448 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -139.45 165.8 26.25 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.28 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.82 131.92 34.22 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.456 0.646 . . . . 0.0 112.006 -179.432 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -76.66 145.92 38.48 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.001 -1.0 . . . . 0.0 108.731 177.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 35.7 mttp -102.38 -23.87 13.91 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.865 0.364 . . . . 0.0 110.871 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.4 t -60.01 -16.87 34.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.177 179.041 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -84.31 -153.94 0.16 Allowed 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.613 -179.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.31 -54.77 0.08 Allowed 'General case' 0 C--O 1.232 0.173 0 CA-C-O 121.024 0.44 . . . . 0.0 110.718 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 23.4 p80 -68.78 151.41 46.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.894 -0.593 . . . . 0.0 112.022 -179.071 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 96.7 mt -113.23 62.7 0.64 Allowed 'General case' 0 C--O 1.231 0.12 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.407 179.245 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -128.75 122.49 30.74 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.946 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 38.9 pt -107.02 161.05 6.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 120.916 0.388 . . . . 0.0 110.928 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 20.3 p -74.5 172.5 11.88 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.427 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -72.02 -32.11 66.84 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.12 0.486 . . . . 0.0 110.115 179.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 47.1 t80 -50.72 -58.25 6.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.209 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 16.7 m80 -66.3 -39.87 89.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.643 -179.291 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.431 ' O ' ' HB2' ' A' ' 120' ' ' GLN . 12.6 ttpp -53.0 -50.2 64.66 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.875 0.369 . . . . 0.0 110.241 179.727 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 64.8 t-20 -69.68 -39.95 76.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.351 -179.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.727 HD23 ' O ' ' A' ' 118' ' ' LEU . 4.4 tt -62.34 -35.37 78.9 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.848 -179.139 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.582 HG21 HG23 ' A' ' 89' ' ' ILE . 71.6 mt -92.14 -49.42 13.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 -177.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.431 ' HB2' ' O ' ' A' ' 116' ' ' LYS . 9.8 mm-40 -52.22 -38.63 58.53 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 113.202 0.816 . . . . 0.0 113.202 -178.577 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 42.7 m . . . . . 0 CA--C 1.537 0.454 0 N-CA-C 115.344 1.609 . . . . 0.0 115.344 -175.958 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 . . . . . 0 CA--C 1.521 -0.144 0 CA-C-O 120.983 0.42 . . . . 0.0 111.35 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.75 151.32 26.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.396 179.699 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 22.4 t -46.89 148.71 1.0 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.457 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 29.8 p -117.52 13.47 14.38 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 58.3 mt -104.6 149.97 25.06 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 178.314 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.41 ' HA ' ' O ' ' A' ' 74' ' ' GLU . 14.3 mtp180 -114.59 113.9 25.0 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.821 0.343 . . . . 0.0 111.505 -179.203 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -98.54 113.87 26.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.076 179.15 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 59.57 25.92 14.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.709 -179.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 94.19 -1.8 67.8 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.784 -0.722 . . . . 0.0 113.153 179.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.41 ' O ' ' HA ' ' A' ' 70' ' ' ARG . 1.0 OUTLIER -99.93 135.15 41.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 117.196 0.498 . . . . 0.0 111.41 -179.689 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.545 ' O ' ' N ' ' A' ' 77' ' ' GLY . 4.8 tpp85 -77.54 55.75 1.34 Allowed 'General case' 0 C--O 1.226 -0.172 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.069 -179.629 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER 46.63 -70.77 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 113.817 1.043 . . . . 0.0 113.817 -179.619 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.545 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 100.33 -23.24 36.6 Favored Glycine 0 N--CA 1.45 -0.367 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 -178.746 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 45.9 ttt180 -80.93 154.42 27.01 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 178.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.22 158.62 34.87 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.025 0.441 . . . . 0.0 111.709 -178.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.02 159.26 26.28 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.063 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -112.53 -127.75 4.87 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.508 -0.853 . . . . 0.0 113.681 -179.027 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -124.08 -3.0 8.1 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 -178.355 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.501 ' HB2' ' CD ' ' A' ' 116' ' ' LYS . . . -89.44 175.73 7.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.083 0.468 . . . . 0.0 111.631 -179.528 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -136.7 145.8 45.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.648 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -78.78 112.97 16.45 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 178.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 87.9 p -119.85 -164.9 1.11 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.352 -178.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.7 mmmm -79.2 -44.49 21.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.137 179.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -51.06 -50.76 58.03 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.564 -179.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.546 HG23 HG21 ' A' ' 119' ' ' ILE . 69.5 mt -59.73 -39.63 80.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.346 179.544 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -60.54 -31.1 70.21 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.014 0.435 . . . . 0.0 109.835 179.02 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.6 tmtp? -75.58 -43.79 46.48 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.638 179.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.0 m -59.44 -32.25 70.04 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.939 178.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.467 HD11 HD13 ' A' ' 119' ' ' ILE . 79.5 mt -79.4 -47.06 22.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.853 178.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.5 t -51.27 -53.99 30.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.085 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -61.77 -16.04 46.3 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.755 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 45.7 mttp -92.66 -37.04 12.63 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 177.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.77 73.18 0.46 Allowed 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.459 -178.332 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 9.1 m -120.39 179.13 2.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.246 -179.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.17 53.11 2.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.273 -179.566 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 88.8 mt -128.71 118.27 46.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.151 179.094 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -143.18 170.1 16.36 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.745 -179.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 103' ' ' ASP . 22.2 tp -94.34 140.25 30.03 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.234 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.41 ' O ' ' HG ' ' A' ' 102' ' ' LEU . 7.3 t0 -88.66 162.45 16.3 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 178.557 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.8 mtmm -102.92 -13.41 16.94 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.605 -0.438 . . . . 0.0 112.115 -178.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 86.8 p -66.8 -32.01 73.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.754 0.311 . . . . 0.0 111.591 -179.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -82.22 139.44 34.25 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.938 0.399 . . . . 0.0 112.055 -178.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.11 -27.2 13.94 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.672 179.447 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 25.2 p80 -91.64 149.77 21.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.992 -178.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 73.8 mt -110.67 80.73 1.34 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.506 179.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -140.1 106.37 5.26 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.268 179.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 32.5 pt -90.56 165.42 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.95 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 21.1 p -78.82 173.5 12.45 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.45 179.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 63.4 t0 -73.5 -23.38 60.03 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.601 179.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -62.46 -61.34 2.51 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.257 -179.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 22.9 m170 -63.04 -28.78 70.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.439 -179.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.501 ' CD ' ' HB2' ' A' ' 83' ' ' ALA . 18.2 ttpp -66.13 -53.96 31.36 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.864 0.364 . . . . 0.0 110.437 179.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -66.21 -30.93 71.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.12 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.504 ' C ' HD23 ' A' ' 118' ' ' LEU . 6.0 tt -70.83 -52.05 22.8 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.799 -179.095 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.546 HG21 HG23 ' A' ' 89' ' ' ILE . 79.1 mt -76.55 -42.89 35.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -178.001 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.419 ' HB2' ' O ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -65.35 -32.53 74.22 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 -178.466 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 74.4 m . . . . . 0 N--CA 1.449 -0.482 0 N-CA-C 115.33 1.604 . . . . 0.0 115.33 -175.818 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 69.2 mm-40 . . . . . 0 N--CA 1.456 -0.151 0 CA-C-O 120.898 0.38 . . . . 0.0 110.683 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -117.77 152.29 35.59 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 179.773 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 53.5 t -41.27 144.97 0.27 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.516 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 20.6 p -108.33 28.84 7.92 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.933 0.397 . . . . 0.0 111.527 -179.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 30.2 mt -130.49 161.4 31.52 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.666 178.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.487 ' HD2' ' HD3' ' A' ' 75' ' ' ARG . 6.2 mtm180 -127.55 117.94 23.02 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.701 0.286 . . . . 0.0 110.833 179.711 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -94.78 122.0 36.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.905 0.383 . . . . 0.0 110.001 179.156 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 54.26 30.81 13.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.736 -179.25 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 92.0 -12.26 69.98 Favored Glycine 0 CA--C 1.519 0.338 0 C-N-CA 120.784 -0.722 . . . . 0.0 113.24 179.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -91.81 139.11 30.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.885 0.343 . . . . 0.0 111.431 -179.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.487 ' HD3' ' HD2' ' A' ' 70' ' ' ARG . 1.6 tpp85 -75.36 59.99 1.1 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.518 -179.139 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 6.9 t 47.39 -78.58 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 113.318 0.859 . . . . 0.0 113.318 179.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 113.94 -23.93 12.42 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.622 -0.799 . . . . 0.0 111.763 -178.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 45.6 mtt-85 -88.81 148.62 23.81 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 179.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.11 157.92 37.36 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.013 0.435 . . . . 0.0 111.969 -178.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.39 155.45 18.06 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.017 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -109.36 -114.21 3.66 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.513 -0.851 . . . . 0.0 113.548 -179.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -133.32 -33.63 1.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.454 0.538 . . . . 0.0 112.454 -178.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.42 175.83 0.71 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.041 0.448 . . . . 0.0 112.096 -179.29 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.0 p -130.24 161.72 30.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.427 179.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -91.19 108.1 19.65 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.115 179.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 62.0 p -112.68 -164.33 0.91 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.098 -179.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.0 tppp? -79.27 -42.71 25.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.277 178.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -53.01 -37.55 61.58 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.808 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.756 HG23 HG21 ' A' ' 119' ' ' ILE . 8.3 mt -70.14 -48.14 63.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 178.74 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.12 -43.77 70.75 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.552 0.691 . . . . 0.0 109.493 178.702 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.3 mmtp -66.2 -42.9 88.17 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 114.888 -1.051 . . . . 0.0 110.152 179.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 28.1 t -59.22 -32.27 69.8 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.321 179.282 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 70.7 mt -79.97 -39.79 19.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.388 179.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.0 m -61.82 -37.83 85.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.265 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -70.65 -36.98 73.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.886 0.374 . . . . 0.0 110.25 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 29.3 mttp -73.49 -45.98 50.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.271 0.558 . . . . 0.0 110.135 178.544 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 73.83 75.89 0.13 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.366 -178.446 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 23.8 m -128.37 166.57 25.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.119 -179.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 10.6 mttp -80.19 63.66 4.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.324 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 74.0 mt -135.37 105.1 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.398 179.208 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -127.58 153.91 45.83 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.429 179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.06 124.67 28.32 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.994 0.426 . . . . 0.0 111.83 -179.459 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -65.46 154.07 39.54 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 177.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.4 mtpp -105.17 -18.58 14.09 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.642 -0.423 . . . . 0.0 111.604 -179.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 47.3 p -74.13 -6.96 50.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.627 -0.261 . . . . 0.0 111.354 179.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -61.43 -176.62 0.08 Allowed 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 121.219 0.533 . . . . 0.0 112.109 -179.221 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 8.3 mtm180 -148.14 20.31 1.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.398 179.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 33.6 p80 -168.41 169.27 10.7 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.799 -179.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 88.3 mt -123.24 77.64 1.5 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.101 179.126 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -141.2 106.59 5.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.338 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 43.9 pt -87.12 159.57 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.942 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 25.1 p -76.39 165.7 24.47 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.689 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -63.38 -39.91 95.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.186 179.271 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -48.23 -61.48 1.97 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.566 -179.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 22.6 m170 -66.95 -34.17 77.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.801 -179.203 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 6.7 ttpp -55.87 -50.64 70.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.023 0.439 . . . . 0.0 110.709 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.25 -41.49 73.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.392 -179.438 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 10.5 tt -60.14 -40.23 89.1 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.821 -179.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.756 HG21 HG23 ' A' ' 89' ' ' ILE . 50.0 mt -83.92 -43.88 17.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 -178.224 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -69.19 -35.67 76.49 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 -178.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 95.5 p . . . . . 0 N--CA 1.467 0.382 0 N-CA-C 114.463 1.283 . . . . 0.0 114.463 -176.203 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 72.1 mm-40 . . . . . 0 N--CA 1.461 0.125 0 CA-C-O 121.166 0.508 . . . . 0.0 111.961 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 64.7 mt -108.86 155.99 20.18 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.642 179.558 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 32.0 t -60.16 149.81 31.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.893 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 61.3 m -117.51 39.92 3.19 Favored 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -179.238 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 54.8 mt -122.18 158.45 29.36 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 178.239 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.414 ' O ' ' HA ' ' A' ' 100' ' ' ILE . 49.8 mtm180 -129.75 129.42 44.12 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.46 -0.337 . . . . 0.0 111.172 -179.549 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -105.01 107.01 17.76 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.997 178.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 39.9 t0 64.23 30.74 13.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.607 -179.205 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 96.96 -29.72 10.16 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.882 -0.675 . . . . 0.0 113.14 179.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -78.12 139.31 39.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.027 0.441 . . . . 0.0 111.643 -179.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.2 tpp85 -76.12 146.53 39.21 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.907 -179.078 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 47.6 t -65.22 -83.84 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.618 179.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 110.99 -30.99 7.58 Favored Glycine 0 C--N 1.333 0.376 0 C-N-CA 120.326 -0.94 . . . . 0.0 113.181 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 37.4 ttt85 -59.79 144.43 48.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.729 0.3 . . . . 0.0 110.71 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.409 ' O ' ' HB3' ' A' ' 112' ' ' CYS . . . -52.14 156.09 1.73 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.439 -179.727 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.99 162.42 28.6 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.375 179.27 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -115.4 -134.0 5.49 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.294 -0.955 . . . . 0.0 113.975 -178.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -111.65 -20.2 12.21 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 111.852 0.316 . . . . 0.0 111.852 -178.334 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.414 ' CB ' ' HG3' ' A' ' 116' ' ' LYS . . . -80.7 168.8 18.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.109 0.48 . . . . 0.0 111.673 -179.382 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.2 m -133.51 145.28 50.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.638 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -63.73 131.15 46.98 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 178.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 61.1 p -142.18 -176.84 4.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.138 0.494 . . . . 0.0 111.719 -179.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.1 mmmm -72.39 -42.09 65.59 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.903 179.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -52.76 -43.94 66.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.951 179.149 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.743 HG23 HG21 ' A' ' 119' ' ' ILE . 9.7 mt -65.32 -39.09 84.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.137 179.22 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -58.35 -40.77 83.11 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 178.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.2 tptm -63.98 -50.34 68.94 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.567 178.55 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 9.6 t -52.78 -36.68 58.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.248 179.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 96.5 mt -74.44 -42.99 49.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.484 179.304 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 6.9 t -57.55 -39.38 76.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.11 -179.588 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -69.78 -40.48 76.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.018 0.437 . . . . 0.0 110.151 179.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.443 ' O ' ' HB2' ' A' ' 97' ' ' LYS . 23.8 mtpp -67.24 -42.4 84.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.502 179.201 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.443 ' HB2' ' O ' ' A' ' 96' ' ' LYS . 9.5 mmtt 68.06 57.0 0.51 Allowed 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.647 -178.453 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 20.7 m -106.74 160.07 6.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.468 -179.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 4.3 mmtm -77.67 55.32 1.32 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.406 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.414 ' HA ' ' O ' ' A' ' 70' ' ' ARG . 61.7 mt -125.84 123.48 64.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.883 0.373 . . . . 0.0 110.477 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -142.87 145.06 32.76 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.612 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.7 tp -68.44 134.78 50.68 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.087 -0.506 . . . . 0.0 112.0 -179.357 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 52.9 t0 -86.79 122.05 30.13 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 177.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.4 mtpp -79.64 -13.47 59.47 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -178.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 40.3 p -82.7 9.56 9.37 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-O 120.57 0.224 . . . . 0.0 111.185 179.342 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -78.48 -135.52 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 116.719 -0.219 . . . . 0.0 111.429 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 12.4 tpp85 -161.49 -62.28 0.05 Allowed 'General case' 0 C--N 1.34 0.164 0 CA-C-O 121.236 0.541 . . . . 0.0 110.428 -179.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 18.3 p80 -94.86 -177.94 4.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.721 -178.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 85.3 mt -133.14 69.27 1.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.07 179.231 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -140.48 95.85 2.94 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.065 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 40.8 pt -73.68 169.89 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.131 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . 0.409 ' HB3' ' O ' ' A' ' 79' ' ' ALA . 8.7 p -80.34 169.21 18.05 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.585 179.614 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -68.41 -39.78 81.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.179 0.514 . . . . 0.0 110.153 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -50.24 -61.46 2.15 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.46 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 10.5 m170 -64.88 -36.04 83.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.829 -179.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.414 ' HG3' ' CB ' ' A' ' 83' ' ' ALA . 8.3 ttpp -55.48 -53.75 52.43 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.046 0.451 . . . . 0.0 110.528 179.712 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -64.75 -42.53 95.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.621 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.517 HD23 ' O ' ' A' ' 118' ' ' LEU . 3.2 tt -57.28 -41.9 80.61 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.875 -178.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.743 HG21 HG23 ' A' ' 89' ' ' ILE . 49.5 mt -81.99 -43.83 19.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 -178.021 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -73.94 -34.02 64.15 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 113.475 0.917 . . . . 0.0 113.475 -178.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 5.7 t . . . . . 0 C--N 1.329 -0.302 0 N-CA-C 114.54 1.311 . . . . 0.0 114.54 -175.99 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.417 ' O ' ' HA ' ' A' ' 79' ' ' ALA . 10.4 mm100 . . . . . 0 CA--C 1.522 -0.13 0 CA-C-O 120.784 0.326 . . . . 0.0 111.2 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 37.6 mt -118.14 152.61 35.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.713 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 48.6 t -45.95 151.2 0.49 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.955 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 31.3 p -113.84 23.71 12.77 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -179.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 96.8 mt -104.61 150.93 24.24 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 178.394 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 78.7 mtp180 -117.6 119.55 35.33 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.781 0.324 . . . . 0.0 111.045 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -96.08 113.26 24.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.876 179.026 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 58.23 24.15 11.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.456 -178.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 96.57 -6.55 65.3 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.879 -0.677 . . . . 0.0 113.156 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -95.58 126.04 40.59 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.16 0.505 . . . . 0.0 111.302 -179.544 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.6 tpp85 -65.84 115.1 5.6 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.556 -0.747 . . . . 0.0 112.26 -178.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 51.4 t -55.08 114.07 1.62 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.228 179.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -94.72 55.17 1.95 Allowed Glycine 0 CA--C 1.519 0.293 0 C-N-CA 120.673 -0.775 . . . . 0.0 113.329 -179.124 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 55.0 ttt85 -127.93 146.56 50.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.757 0.313 . . . . 0.0 110.533 179.197 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.417 ' HA ' ' O ' ' A' ' 65' ' ' GLN . . . -55.68 135.92 51.0 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.935 -179.31 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.21 147.17 48.53 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.099 179.095 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -96.17 -130.38 6.36 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.559 -0.829 . . . . 0.0 113.851 -178.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -121.19 -12.83 8.62 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 -178.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.441 ' HB2' ' HD2' ' A' ' 116' ' ' LYS . . . -71.53 171.12 11.94 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.939 0.4 . . . . 0.0 111.461 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 69.9 p -139.74 125.26 19.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.944 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -51.67 137.04 26.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.093 179.285 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -144.56 -158.75 0.91 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.795 -179.255 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.1 mttp -80.32 -51.58 8.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 112.094 178.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 5.6 tmm_? -51.17 -36.89 43.35 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.968 -179.136 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.597 HG23 HG21 ' A' ' 119' ' ' ILE . 47.9 mt -69.34 -39.04 78.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 179.077 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.99 -49.16 78.57 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 178.337 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.439 ' HA ' ' HE3' ' A' ' 91' ' ' LYS . 0.0 OUTLIER -59.63 -38.14 80.54 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 114.928 -1.033 . . . . 0.0 110.074 179.384 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.425 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 41.2 t -62.09 -50.69 70.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.82 178.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 88.4 mt -58.36 -40.83 79.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.452 179.305 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 73.4 m -62.51 -36.64 83.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.065 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 9.0 tp60 -70.55 -25.05 62.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.893 0.377 . . . . 0.0 110.198 179.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.438 ' HE3' ' HA ' ' A' ' 119' ' ' ILE . 32.7 mttm -82.7 -41.86 18.79 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.405 178.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.433 ' HB2' ' O ' ' A' ' 96' ' ' LYS . 0.1 OUTLIER 72.6 69.83 0.13 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.298 -0.865 . . . . 0.0 109.322 -177.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 33.7 m -132.46 172.62 16.09 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.374 -179.167 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 16.1 mmtm -93.95 66.93 3.67 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.458 -179.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 54.1 mt -138.38 98.3 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.359 179.244 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -123.42 175.08 6.95 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.876 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 33.6 tp -89.86 136.29 33.13 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.292 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -80.59 155.15 27.04 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 178.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 8.5 mttm -104.12 -24.23 13.2 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 120.368 -0.533 . . . . 0.0 111.51 -179.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 7.8 p -70.94 -16.82 62.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.648 0.261 . . . . 0.0 110.937 179.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -66.06 -165.78 0.03 OUTLIER 'General case' 0 C--O 1.231 0.091 0 CA-C-O 120.96 0.41 . . . . 0.0 111.757 -179.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.1 -67.42 0.39 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.886 -179.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 27.4 p80 -74.86 153.8 38.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.956 -179.06 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 93.9 mt -111.05 77.99 1.08 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.593 179.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -142.75 129.55 20.48 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.267 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 19.1 pt -105.11 168.11 2.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.984 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 14.0 p -84.53 167.79 16.02 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.666 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.33 -31.42 72.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.072 0.463 . . . . 0.0 110.267 179.679 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 58.1 t80 -56.63 -61.99 2.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.457 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 19.7 m80 -65.98 -39.28 90.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.527 -179.133 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.441 ' HD2' ' HB2' ' A' ' 83' ' ' ALA . 0.6 OUTLIER -54.2 -44.63 71.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.985 0.421 . . . . 0.0 110.449 179.801 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -73.82 -37.5 64.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.937 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.454 HD23 ' O ' ' A' ' 118' ' ' LEU . 7.5 tt -61.67 -37.33 83.71 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.558 -179.381 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.597 HG21 HG23 ' A' ' 89' ' ' ILE . 53.5 mt -90.23 -53.56 8.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 -177.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -61.17 -30.83 70.64 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 -178.247 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 N-CA-C 114.5 1.296 . . . . 0.0 114.5 -176.294 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 . . . . . 0 CA--C 1.518 -0.267 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.416 ' HA ' ' HA ' ' A' ' 79' ' ' ALA . 4.1 mp -117.44 137.63 52.38 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-O 121.395 0.617 . . . . 0.0 112.317 179.785 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 24.6 t -45.25 142.72 1.94 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 114.926 -1.034 . . . . 0.0 111.404 -179.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 20.5 p -106.31 11.49 30.98 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.831 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.46 HD23 ' HA ' ' A' ' 102' ' ' LEU . 53.6 mt -98.97 162.9 12.82 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.86 0.362 . . . . 0.0 110.174 178.123 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.454 ' HG2' ' HD3' ' A' ' 75' ' ' ARG . 35.7 mtp180 -122.54 143.09 49.95 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.812 -179.732 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -124.45 110.61 14.73 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.068 179.061 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 59.04 25.18 13.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.663 -179.177 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 102.22 -10.07 56.51 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.787 -0.72 . . . . 0.0 113.245 179.586 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.409 ' OE1' ' HA ' ' A' ' 74' ' ' GLU . 3.7 mm-40 -94.55 135.25 36.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 117.025 0.412 . . . . 0.0 111.472 -179.701 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.517 ' O ' ' N ' ' A' ' 77' ' ' GLY . 0.5 OUTLIER -78.62 58.89 2.35 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.473 -179.327 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 3.8 t 44.73 -76.94 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 179.1 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 105.23 -37.4 3.83 Favored Glycine 0 N--CA 1.451 -0.361 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -178.686 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 31.7 ttt180 -65.43 150.39 48.42 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 178.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.416 ' HA ' ' HA ' ' A' ' 66' ' ' LEU . . . -71.52 162.69 29.05 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.295 -179.128 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -80.76 146.29 31.07 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.301 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -111.78 -142.54 8.83 Favored Glycine 0 C--N 1.334 0.428 0 C-N-CA 120.737 -0.744 . . . . 0.0 113.995 -179.013 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -97.11 24.21 6.56 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -178.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.762 ' HB2' ' HD3' ' A' ' 116' ' ' LYS . . . -113.4 153.16 29.04 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.026 0.441 . . . . 0.0 111.525 -179.753 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 69.2 p -122.99 152.31 41.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.604 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -90.7 116.48 28.6 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.011 179.239 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 96.5 p -118.3 -168.09 1.47 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.032 -179.386 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.14 -34.2 49.95 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.869 178.39 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.28 -46.53 83.03 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 120.774 0.321 . . . . 0.0 110.619 179.68 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.734 HG23 HG21 ' A' ' 119' ' ' ILE . 87.5 mt -65.55 -33.81 66.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.085 0.469 . . . . 0.0 110.046 179.028 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.27 -48.5 75.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.485 0.659 . . . . 0.0 109.523 178.767 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.13 -43.24 99.19 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.714 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.5 m -59.14 -49.84 76.32 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 178.456 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.402 ' HA ' ' HD3' ' A' ' 96' ' ' LYS . 57.0 mt -56.92 -35.83 48.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.736 178.688 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 40.8 m -62.96 -43.31 99.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.958 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -68.92 -35.12 76.45 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.133 0.492 . . . . 0.0 109.993 179.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.402 ' HD3' ' HA ' ' A' ' 93' ' ' ILE . 26.0 mtpt -73.68 -33.97 64.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.905 178.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 55.42 59.94 3.64 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.402 -178.689 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 31.3 m -108.12 172.85 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.378 -179.278 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 23.6 mtmm -85.63 58.84 5.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.049 0.452 . . . . 0.0 111.399 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 64.7 mt -138.06 125.75 29.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.045 179.034 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -153.09 149.75 28.41 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.785 -179.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.692 HD12 ' H ' ' A' ' 103' ' ' ASP . 32.0 tp -60.55 142.97 54.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.294 0.568 . . . . 0.0 112.023 -179.313 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.692 ' H ' HD12 ' A' ' 102' ' ' LEU . 41.4 t0 -99.87 137.01 38.93 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 177.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 38.0 mmtm -96.29 -20.33 18.61 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -178.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 82.8 p -55.22 -21.31 13.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.667 0.27 . . . . 0.0 111.229 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -75.26 175.13 8.63 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.23 0.538 . . . . 0.0 112.211 -179.253 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.12 -27.04 8.53 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.498 179.544 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 11.6 p80 -125.58 176.64 6.72 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.405 -179.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 94.6 mt -101.07 -121.46 0.16 Allowed 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.411 178.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 63.04 119.97 0.02 OUTLIER 'General case' 0 N--CA 1.456 -0.174 0 CA-C-O 121.134 0.492 . . . . 0.0 111.687 179.316 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 28.0 pt -113.25 156.47 14.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.292 179.299 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 17.4 p -73.51 165.6 24.77 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.722 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -66.16 -27.8 68.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.307 179.499 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 93.6 t80 -56.53 -61.68 2.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.539 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 24.3 m170 -65.2 -36.44 84.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.619 -179.24 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.762 ' HD3' ' HB2' ' A' ' 83' ' ' ALA . 9.5 ttpp -56.84 -53.11 61.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.001 0.429 . . . . 0.0 110.543 179.786 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -66.44 -43.22 86.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.199 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.431 HD23 ' O ' ' A' ' 118' ' ' LEU . 6.7 tt -58.6 -44.21 89.79 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.779 -179.263 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.734 HG21 HG23 ' A' ' 89' ' ' ILE . 74.8 mt -78.13 -53.22 14.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 113.14 0.793 . . . . 0.0 113.14 -178.078 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -57.68 -41.12 80.93 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 -178.403 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 82.9 p . . . . . 0 N--CA 1.467 0.414 0 N-CA-C 114.48 1.289 . . . . 0.0 114.48 -175.968 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.961 0.41 . . . . 0.0 111.065 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 16.6 mt -121.47 160.11 24.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.537 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 43.7 t -63.39 158.5 20.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.615 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 88.7 m -121.66 36.09 4.71 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -178.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 77.3 mt -121.12 152.05 39.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.701 0.286 . . . . 0.0 110.305 178.197 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 50.6 mtp85 -123.53 121.58 36.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.064 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -103.63 118.49 36.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.249 179.181 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 54.9 49.86 16.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.687 -179.371 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 64.42 10.56 43.27 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.934 -0.65 . . . . 0.0 113.077 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -114.1 125.62 54.18 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 121.033 0.444 . . . . 0.0 111.021 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.5 tpt180 -66.6 134.21 51.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.649 -0.705 . . . . 0.0 112.083 -178.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 42.5 t -52.7 -68.51 0.16 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.594 179.399 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 85.51 -12.44 58.92 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.689 -0.767 . . . . 0.0 113.206 179.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 58.1 ttt85 -71.8 141.85 49.67 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.853 0.359 . . . . 0.0 110.641 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.02 134.69 43.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.775 -179.446 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.83 155.01 28.11 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.008 179.074 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -113.12 -112.5 3.11 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.21 -0.995 . . . . 0.0 113.805 -178.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -126.21 -17.39 5.24 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -178.45 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -83.68 162.12 20.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.156 0.503 . . . . 0.0 112.078 -178.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 83.0 p -124.41 157.53 34.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.448 179.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -80.52 122.39 26.97 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.739 179.3 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 54.4 p -128.6 -169.07 2.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.205 0.526 . . . . 0.0 111.635 -179.07 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 29.7 mttp -78.04 -39.8 40.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.381 179.159 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.475 ' NE ' HG13 ' A' ' 89' ' ' ILE . 0.0 OUTLIER -53.32 -42.96 67.23 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.324 179.588 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.875 HG23 HG21 ' A' ' 119' ' ' ILE . 14.6 mt -69.48 -32.23 52.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.132 179.172 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.85 -46.39 85.24 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 178.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.2 tptp -64.3 -43.37 94.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.481 178.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 13.6 t -56.38 -42.34 77.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.163 179.193 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 63.0 mt -68.58 -47.14 78.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.431 179.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 9.9 t -56.73 -37.57 71.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.036 -179.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -70.2 -41.06 74.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.989 0.423 . . . . 0.0 109.954 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.3 mtpm? -69.32 -35.06 75.57 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.425 179.103 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 17.1 mmtp 65.38 80.37 0.23 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.62 -178.555 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 17.1 m -141.31 171.2 12.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.089 -179.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.8 mttp -90.02 70.42 7.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.152 0.501 . . . . 0.0 111.459 -179.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 61.3 mt -137.8 118.5 16.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.199 179.234 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -148.51 172.33 14.67 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.611 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 41.9 tp -85.52 144.93 27.64 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.631 -179.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -99.84 127.91 45.97 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 178.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 5.6 mmtp -75.13 -3.08 30.71 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -178.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 51.8 p -79.8 -21.1 44.7 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 121.106 -0.237 . . . . 0.0 111.115 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -77.98 -163.53 0.43 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.873 0.368 . . . . 0.0 111.744 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -141.87 -73.53 0.31 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.331 -179.479 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -66.44 166.27 12.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.619 -178.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 23.7 mt -116.94 82.73 1.85 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.708 178.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -144.07 113.24 6.86 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.303 -179.184 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 25.8 pt -98.56 156.48 3.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.171 -179.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 21.5 p -69.08 164.17 23.1 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.464 179.531 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -64.91 -40.21 94.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.051 0.453 . . . . 0.0 110.594 179.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -47.7 -60.29 2.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.14 -179.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -61.81 -42.37 98.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.632 -179.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 10.0 ttpp -50.7 -47.63 58.94 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.103 0.478 . . . . 0.0 110.612 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -68.72 -46.4 69.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.186 -179.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.64 HD23 ' O ' ' A' ' 118' ' ' LEU . 6.7 tt -55.91 -38.29 70.05 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.773 -179.453 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.875 HG21 HG23 ' A' ' 89' ' ' ILE . 57.6 mt -87.85 -55.05 6.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 113.515 0.932 . . . . 0.0 113.515 -177.771 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -61.24 -44.47 97.2 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 114.045 1.128 . . . . 0.0 114.045 -177.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 8.2 t . . . . . 0 N--CA 1.467 0.422 0 N-CA-C 114.663 1.357 . . . . 0.0 114.663 -176.071 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.781 0.324 . . . . 0.0 110.751 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 19.7 mt -127.48 147.35 50.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.615 179.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.423 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 20.1 t -54.18 142.59 25.31 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.665 179.649 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 94.0 m -106.7 36.89 2.48 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 112.095 0.405 . . . . 0.0 112.095 -179.002 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.413 HD11 HG21 ' A' ' 111' ' ' ILE . 40.3 mt -128.63 160.37 32.66 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 178.487 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 64.4 mtp85 -129.09 125.57 37.47 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.871 0.367 . . . . 0.0 111.127 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.406 ' O ' ' HB2' ' A' ' 72' ' ' ASP . 31.8 tt0 -105.61 112.8 26.02 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.857 179.037 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.406 ' HB2' ' O ' ' A' ' 71' ' ' GLU . 0.6 OUTLIER 68.39 41.87 1.73 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.699 -179.037 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 66.29 7.59 39.73 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.941 -0.647 . . . . 0.0 113.011 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -118.1 130.74 56.31 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.912 0.386 . . . . 0.0 110.431 -179.47 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.7 tpt180 -54.75 141.06 33.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.992 -0.549 . . . . 0.0 112.172 -178.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.423 ' HB3' ' HB3' ' A' ' 67' ' ' CYS . 6.8 t -58.75 -57.47 12.88 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.458 179.491 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 86.96 -15.79 51.08 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.86 -0.686 . . . . 0.0 113.128 179.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.402 ' HD3' ' HB2' ' A' ' 112' ' ' CYS . 49.4 ttt85 -80.65 131.57 35.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.769 0.319 . . . . 0.0 110.593 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.416 ' O ' ' HB3' ' A' ' 112' ' ' CYS . . . -47.31 153.0 0.54 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.612 -179.647 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.88 155.37 40.66 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.208 179.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -104.52 -112.27 3.69 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.349 -0.929 . . . . 0.0 113.73 -178.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -128.91 -37.59 1.71 Allowed 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 -178.512 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.11 171.88 5.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.235 0.54 . . . . 0.0 112.114 -178.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 96.1 p -134.63 143.9 47.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.697 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -63.81 130.25 43.39 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.004 179.312 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 60.6 p -136.08 -164.1 1.5 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.063 0.459 . . . . 0.0 111.28 -179.153 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.8 mttp -78.89 -47.34 16.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.976 178.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.68 -40.42 62.89 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.505 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.708 HG23 HG21 ' A' ' 119' ' ' ILE . 47.3 mt -68.68 -31.95 53.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.022 0.439 . . . . 0.0 110.075 178.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.67 -39.13 84.51 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.401 178.695 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 22.3 tptp -66.03 -47.67 73.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.619 178.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.44 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 43.3 t -55.78 -46.18 77.99 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.764 178.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 78.1 mt -65.35 -36.37 77.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.352 179.232 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 24.5 t -64.86 -40.46 95.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.309 -179.417 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -73.52 -43.32 60.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.756 0.312 . . . . 0.0 110.336 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.44 ' HG3' ' O ' ' A' ' 92' ' ' SER . 16.1 mtpp -64.92 -31.1 72.17 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.154 0.502 . . . . 0.0 109.674 178.645 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 3.3 mmtt 55.89 80.34 0.14 Allowed 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.973 -178.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 15.7 m -128.74 172.12 15.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.856 -179.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 23.0 mttp -90.52 60.24 4.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.02 0.438 . . . . 0.0 111.349 -179.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 68.3 mt -128.17 112.87 28.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.049 179.081 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -130.68 160.4 34.37 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.812 -179.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -85.24 123.58 30.89 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.75 -179.306 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -76.17 109.43 9.83 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 178.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 22.7 mttp -67.82 -7.88 31.42 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.512 0.56 . . . . 0.0 112.512 -178.293 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 87.8 p -70.6 -30.76 67.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.881 0.372 . . . . 0.0 110.662 179.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -69.37 -170.7 0.29 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.995 -179.265 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -131.21 -79.17 0.52 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.404 -179.594 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 28.9 p80 -54.54 160.42 1.78 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.134 0.492 . . . . 0.0 111.659 -179.192 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 85.9 mt -116.27 81.41 1.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.343 179.215 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -144.61 119.43 9.89 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.498 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.413 HG21 HD11 ' A' ' 69' ' ' LEU . 44.2 pt -100.09 158.82 3.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.985 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . 0.416 ' HB3' ' O ' ' A' ' 79' ' ' ALA . 7.9 p -70.51 168.14 16.88 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.686 179.658 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -67.41 -31.12 71.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.22 0.533 . . . . 0.0 110.181 179.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.403 ' O ' ' HB2' ' A' ' 118' ' ' LEU . 55.6 t80 -54.37 -57.64 10.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.102 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 16.7 m170 -70.68 -35.89 73.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.733 -179.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.415 ' O ' ' HB2' ' A' ' 120' ' ' GLN . 15.7 ttpp -55.55 -53.22 59.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.916 0.389 . . . . 0.0 110.432 179.665 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -70.34 -37.38 74.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.356 -179.402 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.635 HD23 ' O ' ' A' ' 118' ' ' LEU . 5.4 tt -63.12 -34.24 77.19 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.754 -179.227 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.708 HG21 HG23 ' A' ' 89' ' ' ILE . 62.6 mt -95.09 -44.48 13.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 113.296 0.85 . . . . 0.0 113.296 -177.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.415 ' HB2' ' O ' ' A' ' 116' ' ' LYS . 3.2 mt-30 -57.86 -42.22 84.04 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 -178.538 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 8.0 t . . . . . 0 C--N 1.327 -0.402 0 N-CA-C 114.593 1.331 . . . . 0.0 114.593 -175.579 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 67.4 mm-40 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 121.214 0.531 . . . . 0.0 112.287 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 40.0 mt -111.14 147.27 35.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.435 179.494 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 51.3 t -45.95 160.76 0.06 Allowed 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.012 179.887 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 28.8 p -127.84 34.48 4.62 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -179.628 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 95.9 mt -117.59 161.37 19.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.72 0.295 . . . . 0.0 110.431 177.647 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 24.7 mtp180 -120.99 106.57 11.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.122 -179.731 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -84.83 110.45 18.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.293 -0.412 . . . . 0.0 109.977 179.26 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 64.84 44.2 3.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.628 -179.172 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 67.63 5.51 37.91 Favored Glycine 0 CA--C 1.52 0.347 0 C-N-CA 120.943 -0.646 . . . . 0.0 113.013 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -117.2 125.31 50.98 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-O 121.013 0.435 . . . . 0.0 110.907 -179.496 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.6 tpp85 -42.88 157.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.949 -179.233 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 30.7 t -85.66 -71.46 0.53 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.23 179.304 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 99.42 -41.44 2.19 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.926 179.494 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 57.5 ttt85 -47.3 140.03 5.83 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.845 0.355 . . . . 0.0 110.975 179.942 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.13 160.77 0.71 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.566 -179.523 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -96.18 150.38 20.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.064 179.01 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -106.02 -104.91 2.98 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.34 -0.933 . . . . 0.0 113.644 -178.928 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -132.69 -9.27 3.17 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -178.763 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.447 ' HB2' ' HD3' ' A' ' 116' ' ' LYS . . . -77.0 159.97 29.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.116 0.484 . . . . 0.0 112.016 -178.733 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.5 p -133.11 136.56 45.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.475 179.597 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -70.72 132.34 45.23 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.048 179.315 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -137.42 -158.14 0.84 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.001 -179.686 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.32 -38.04 27.37 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 178.03 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -52.59 -50.37 63.17 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.041 0.448 . . . . 0.0 111.247 -179.364 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.688 HG23 HG21 ' A' ' 119' ' ' ILE . 30.1 mt -57.29 -39.76 69.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.123 -179.618 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -59.72 -44.86 93.56 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 178.814 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.8 tptm -56.7 -51.79 67.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.459 178.366 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.75 -50.45 63.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.196 179.732 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 90.9 mt -57.32 -47.02 85.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.475 179.176 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 34.9 m -57.17 -41.24 78.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.265 -179.75 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -73.71 -28.39 61.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.042 0.449 . . . . 0.0 110.423 179.568 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.446 ' O ' ' HB2' ' A' ' 97' ' ' LYS . 32.0 mttp -78.8 -46.11 19.47 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.73 179.322 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.446 ' HB2' ' O ' ' A' ' 96' ' ' LYS . 17.2 mmtt 72.7 84.6 0.12 Allowed 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.705 -178.049 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 27.6 m -146.66 161.12 9.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.991 -179.3 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.9 62.84 3.46 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.915 0.388 . . . . 0.0 111.34 -179.796 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 74.4 mt -133.37 113.13 18.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.269 179.13 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -144.72 156.54 44.12 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.048 0.451 . . . . 0.0 110.908 -179.928 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 18.1 tp -71.32 145.01 49.75 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.5 -179.929 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -92.72 138.19 31.71 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 177.719 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.24 -23.17 30.55 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 -178.406 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 77.9 p -62.47 -40.48 96.78 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.603 -179.563 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -54.24 -176.35 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.191 0.52 . . . . 0.0 112.078 -179.063 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.35 -64.83 0.92 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.863 -179.329 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 9.2 p80 -73.68 177.1 5.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.678 -179.237 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 44.5 mt -135.11 88.11 2.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.45 179.168 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -147.63 102.71 3.46 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.434 179.654 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 33.5 pt -79.1 169.27 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 -179.947 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 19.2 p -90.82 157.06 17.58 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.611 179.743 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.21 -38.76 54.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.04 0.448 . . . . 0.0 110.545 179.661 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -52.33 -62.28 1.74 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.549 -179.562 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 18.1 m170 -65.78 -33.16 75.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.423 -179.37 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.447 ' HD3' ' HB2' ' A' ' 83' ' ' ALA . 15.8 ttpp -57.36 -53.83 53.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.932 0.396 . . . . 0.0 110.442 179.579 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 24.6 t30 -68.18 -37.79 81.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.114 -179.704 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.499 HD23 ' O ' ' A' ' 118' ' ' LEU . 4.3 tt -60.61 -39.67 89.03 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.726 -179.087 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.688 HG21 HG23 ' A' ' 89' ' ' ILE . 50.9 mt -90.89 -35.32 7.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 113.309 0.855 . . . . 0.0 113.309 -177.867 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.402 ' HB2' ' O ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -68.7 -40.36 80.06 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 -178.606 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 35.1 t . . . . . 0 C--N 1.329 -0.308 0 N-CA-C 114.728 1.381 . . . . 0.0 114.728 -175.685 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.438 ' O ' HD23 ' A' ' 66' ' ' LEU . 21.6 mt-30 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.901 0.382 . . . . 0.0 111.248 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.438 HD23 ' O ' ' A' ' 65' ' ' GLN . 13.1 mt -135.61 146.94 48.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.715 -179.793 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 48.0 t -45.47 140.17 3.33 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.138 179.744 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.403 ' SG ' ' HB1' ' A' ' 106' ' ' ALA . 1.3 m -107.37 25.59 11.25 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -178.786 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 94.5 mt -107.62 154.99 20.64 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 178.333 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.502 ' HG2' ' HD2' ' A' ' 75' ' ' ARG . 61.0 mtp180 -118.24 112.47 20.14 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.815 0.34 . . . . 0.0 111.386 -179.655 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -100.46 94.72 6.3 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 178.756 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 72.72 42.23 0.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.443 -179.017 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 77.24 -2.37 61.8 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.854 -0.688 . . . . 0.0 113.138 179.832 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -96.8 120.82 37.85 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 121.054 0.454 . . . . 0.0 111.325 -179.622 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.502 ' HD2' ' HG2' ' A' ' 70' ' ' ARG . 8.7 mmm180 -71.28 61.01 0.3 Allowed 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.882 -179.23 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 10.9 t 29.86 -92.55 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 179.331 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 123.34 -35.21 3.41 Favored Glycine 0 C--N 1.336 0.571 0 C-N-CA 120.403 -0.903 . . . . 0.0 113.036 -179.964 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 59.9 ttt180 -61.88 154.83 25.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.78 0.324 . . . . 0.0 110.751 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.85 149.14 50.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.798 -179.469 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.79 145.81 55.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.243 179.135 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -98.89 -119.31 4.15 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.462 -0.875 . . . . 0.0 113.813 -178.833 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.406 ' ND2' ' O ' ' A' ' 82' ' ' ASN . 5.6 t30 -131.27 0.59 4.13 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -178.742 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -95.21 167.24 11.48 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.019 0.437 . . . . 0.0 111.658 -179.389 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.5 m -129.15 152.29 48.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.45 179.796 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -78.65 107.07 11.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.951 0.405 . . . . 0.0 109.92 179.071 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 83.0 p -115.54 -162.71 0.84 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.86 -179.214 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.63 -42.07 25.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.812 0.339 . . . . 0.0 111.62 178.965 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -52.94 -39.34 62.8 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-O 121.068 0.461 . . . . 0.0 110.399 -179.268 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.725 HG23 HG21 ' A' ' 119' ' ' ILE . 21.7 mt -71.39 -38.78 70.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.988 179.227 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -59.97 -51.08 71.18 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 178.923 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.2 tptm -59.02 -42.79 91.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.905 179.012 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 39.9 t -56.43 -46.67 80.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.155 179.367 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 94.1 mt -60.02 -47.21 92.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.859 178.906 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.429 ' O ' ' HG2' ' A' ' 97' ' ' LYS . 58.1 m -59.34 -29.38 67.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.362 -179.69 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -79.19 -39.51 33.15 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 179.329 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? -70.76 -37.96 73.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.893 178.85 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.429 ' HG2' ' O ' ' A' ' 94' ' ' SER . 0.3 OUTLIER 61.11 74.09 0.46 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.751 -178.829 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 14.9 m -125.81 176.53 6.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.027 -179.361 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 24.1 mttm -86.28 46.69 1.37 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.305 -179.798 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 67.5 mt -112.06 125.06 69.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.121 179.318 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -138.67 166.99 22.93 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.394 -179.854 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 63.2 tp -102.71 137.46 40.89 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.104 0.478 . . . . 0.0 110.988 178.84 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -94.74 118.25 31.43 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 178.679 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 11.8 mmtp -67.04 -21.69 65.91 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -178.509 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 28.9 p -57.14 -35.84 69.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.776 0.322 . . . . 0.0 111.207 -179.466 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.403 ' HB1' ' SG ' ' A' ' 68' ' ' CYS . . . -58.43 174.95 0.27 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.13 0.49 . . . . 0.0 111.938 -179.239 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 2.1 ttp85 -123.1 -58.48 1.64 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.925 -179.748 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 23.6 p80 -76.33 149.03 37.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.824 -179.168 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 72.0 mt -108.51 63.29 0.61 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.293 179.096 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -126.0 124.65 41.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.426 179.606 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 21.6 pt -107.01 158.0 7.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.077 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 11.3 p -69.71 157.6 36.98 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.693 179.681 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -61.91 -28.25 69.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.023 0.439 . . . . 0.0 110.249 179.601 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -57.76 -61.5 2.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.265 -179.928 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 20.6 m170 -66.07 -33.49 75.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.771 -179.28 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 5.1 ttpp -60.67 -54.16 48.62 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.018 0.437 . . . . 0.0 110.891 179.932 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -65.8 -36.86 84.7 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.254 -179.555 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 6.0 tt -66.11 -39.43 89.93 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.66 -179.263 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.725 HG21 HG23 ' A' ' 89' ' ' ILE . 84.9 mt -78.15 -46.86 25.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -178.345 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -59.84 -30.52 69.01 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 -178.347 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 62.4 m . . . . . 0 CA--C 1.533 0.317 0 N-CA-C 115.042 1.497 . . . . 0.0 115.042 -175.985 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.748 0.309 . . . . 0.0 110.525 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 58.7 mt -112.21 159.67 18.36 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.944 0.402 . . . . 0.0 111.135 -179.892 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 42.7 t -55.18 153.37 6.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.762 179.766 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 98.7 m -116.18 23.27 12.28 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -179.345 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.419 HD11 HG21 ' A' ' 111' ' ' ILE . 75.1 mt -118.5 159.68 23.08 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 178.573 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 39.4 mtp180 -127.2 135.42 50.63 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.819 0.342 . . . . 0.0 111.091 -179.657 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 56.4 tt0 -114.28 108.08 16.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.137 179.148 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 60.82 40.41 15.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.491 -179.375 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 84.05 -7.16 72.15 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.826 -0.702 . . . . 0.0 113.121 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.02 131.99 36.27 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.002 0.43 . . . . 0.0 111.217 -179.662 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.82 61.62 5.98 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 115.839 -0.619 . . . . 0.0 112.05 -178.647 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 35.4 t 31.24 -95.81 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 115.415 -0.812 . . . . 0.0 113.114 178.921 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 122.78 -27.12 6.03 Favored Glycine 0 C--N 1.336 0.539 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.635 -179.578 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.438 ' NH2' ' HB2' ' A' ' 113' ' ' ASP . 41.9 ttt180 -69.62 137.01 51.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.759 0.314 . . . . 0.0 110.763 179.806 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.03 143.47 48.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.685 -179.469 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.03 159.3 4.32 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.955 179.063 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -124.8 -114.55 2.05 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 119.925 -1.131 . . . . 0.0 114.062 -178.782 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 20.3 t30 -126.42 15.62 7.69 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -178.156 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -111.22 150.93 28.86 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.041 0.448 . . . . 0.0 111.526 -179.586 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 24.0 p -123.06 149.96 43.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.771 179.695 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -81.29 120.72 25.28 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.962 179.444 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 61.6 p -126.34 -159.04 0.89 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.407 -178.851 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 32.8 mmtt -79.87 -42.96 23.15 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 121.158 0.504 . . . . 0.0 110.823 179.273 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.8 tmm_? -51.98 -46.04 64.69 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.155 -179.538 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.495 HG23 HG21 ' A' ' 119' ' ' ILE . 20.1 mt -64.62 -38.15 81.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.92 0.391 . . . . 0.0 110.076 179.317 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.11 -48.27 80.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.515 0.674 . . . . 0.0 109.409 178.59 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.14 -47.55 85.73 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 114.899 -1.046 . . . . 0.0 110.185 179.187 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.411 ' OG ' ' NZ ' ' A' ' 96' ' ' LYS . 1.2 t -56.12 -49.19 74.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.891 179.3 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 96.7 mt -58.97 -46.86 91.31 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.465 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.16 179.039 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 7.7 t -55.64 -37.58 68.4 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.352 -179.363 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 28.8 tp60 -72.93 -27.81 62.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.924 0.392 . . . . 0.0 110.373 179.868 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.411 ' NZ ' ' OG ' ' A' ' 92' ' ' SER . 38.5 mttp -86.06 -41.7 14.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.393 179.274 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 3.9 mmtp 64.77 89.79 0.09 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.833 -178.18 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 15.6 m -137.14 173.12 13.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.301 -179.165 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 6.3 mmtm -87.02 55.78 3.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.481 -179.695 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 64.9 mt -130.24 118.74 44.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.508 179.365 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.8 pm0 -138.57 158.53 44.07 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.06 0.457 . . . . 0.0 110.809 179.752 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.36 123.92 29.54 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.562 -179.572 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.406 ' OD2' ' HB3' ' A' ' 105' ' ' SER . 27.9 t70 -74.46 133.71 42.35 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 178.516 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -85.85 -11.2 53.96 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.265 0.469 . . . . 0.0 112.265 -178.46 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . 0.406 ' HB3' ' OD2' ' A' ' 103' ' ' ASP . 29.2 t -67.76 -22.53 65.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.667 0.27 . . . . 0.0 111.237 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.96 -159.46 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.748 -179.507 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.19 -59.34 0.49 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.16 -179.897 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . 0.43 ' O ' HD23 ' A' ' 109' ' ' LEU . 11.0 p80 -87.34 -172.38 3.9 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.516 -179.011 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.43 HD23 ' O ' ' A' ' 108' ' ' HIS . 84.2 mt -131.95 76.28 1.69 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.811 178.961 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -137.38 110.55 7.82 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.535 -178.969 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.419 HG21 HD11 ' A' ' 69' ' ' LEU . 36.1 pt -93.36 170.07 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.998 -179.747 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 15.3 p -85.78 164.79 17.37 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.419 179.572 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.438 ' HB2' ' NH2' ' A' ' 78' ' ' ARG . 0.7 OUTLIER -63.95 -36.73 84.9 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.963 0.411 . . . . 0.0 110.42 179.528 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -50.07 -61.96 1.85 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.329 -179.886 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 10.3 m80 -62.65 -34.67 77.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.548 -179.152 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.431 ' O ' ' HB2' ' A' ' 120' ' ' GLN . 14.8 ttpp -57.65 -52.98 63.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.911 0.386 . . . . 0.0 110.2 179.54 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 31.1 t-20 -66.34 -38.1 86.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.303 -179.603 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.499 HD23 ' O ' ' A' ' 118' ' ' LEU . 6.3 tt -61.11 -42.66 98.93 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.929 -179.038 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.495 HG21 HG23 ' A' ' 89' ' ' ILE . 66.4 mt -87.17 -51.19 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 113.414 0.894 . . . . 0.0 113.414 -177.814 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.431 ' HB2' ' O ' ' A' ' 116' ' ' LYS . 0.7 OUTLIER -58.37 -41.98 85.96 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 -178.037 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 73.5 m . . . . . 0 C--N 1.325 -0.498 0 N-CA-C 114.76 1.393 . . . . 0.0 114.76 -175.876 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 70.9 mm-40 . . . . . 0 CA--C 1.523 -0.094 0 CA-C-O 121.314 0.578 . . . . 0.0 112.077 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 65.1 mt -125.96 -179.36 4.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.478 179.747 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.488 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 51.6 t -79.28 135.84 36.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.803 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.449 ' HA ' ' NH1' ' A' ' 75' ' ' ARG . 25.8 m -96.04 19.18 12.02 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 -179.289 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.495 HD12 ' ND1' ' A' ' 115' ' ' HIS . 96.2 mt -100.22 163.66 12.3 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 178.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 22.8 mtp180 -130.21 112.84 13.75 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.804 0.335 . . . . 0.0 111.32 -179.618 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -94.79 89.64 5.76 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.767 179.007 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.41 ' OD2' ' HD2' ' A' ' 99' ' ' LYS . 0.6 OUTLIER 63.97 46.95 3.6 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.77 -179.119 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 86.28 -13.83 56.26 Favored Glycine 0 C--N 1.331 0.282 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.964 179.856 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -88.52 123.91 33.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.725 0.263 . . . . 0.0 110.898 -179.813 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.549 ' O ' ' N ' ' A' ' 77' ' ' GLY . 3.5 mmm180 -76.74 57.64 1.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.532 -179.496 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.488 ' HB3' ' HB3' ' A' ' 67' ' ' CYS . 2.9 t 47.27 -71.84 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 179.781 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.549 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 90.87 27.73 18.18 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.948 -0.644 . . . . 0.0 111.674 -179.343 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 59.8 ttt85 -129.71 142.82 50.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.919 0.39 . . . . 0.0 110.945 -179.607 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.07 145.76 29.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.677 -179.613 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.27 164.61 4.1 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.11 179.239 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -119.82 -122.11 2.99 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.125 -1.036 . . . . 0.0 113.992 -178.833 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -120.95 -41.57 2.54 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 -178.201 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.3 167.93 7.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.184 0.516 . . . . 0.0 111.905 -179.067 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 62.9 m -131.22 153.34 49.59 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.466 179.62 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -66.94 138.06 57.0 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 179.295 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 88.6 p -143.93 -169.59 3.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.782 0.325 . . . . 0.0 111.288 -179.243 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -78.9 -48.46 14.58 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.416 178.961 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.6 -38.09 52.94 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.538 -179.669 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.599 HG23 HG21 ' A' ' 119' ' ' ILE . 51.8 mt -68.72 -35.75 71.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 178.857 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -64.79 -44.77 88.88 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-O 121.541 0.686 . . . . 0.0 109.476 178.502 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.72 -41.52 95.42 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 114.914 -1.039 . . . . 0.0 110.246 179.057 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 29.2 t -63.64 -44.92 92.43 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.281 178.981 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 89' ' ' ILE . 95.6 mt -56.92 -49.96 77.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 178.677 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 31.2 t -54.29 -49.63 69.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.184 -179.938 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -49.88 -31.88 13.16 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 121.229 0.538 . . . . 0.0 110.162 179.68 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.0 mmtp -90.53 -35.71 14.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.058 178.858 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 63.17 58.21 1.47 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.569 -179.114 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 17.6 m -105.22 171.18 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.357 -179.398 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.41 ' HD2' ' OD2' ' A' ' 72' ' ' ASP . 43.6 mttm -84.83 50.05 1.84 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.423 -179.796 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 60.8 mt -128.72 110.11 20.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.916 179.312 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -145.99 151.37 37.67 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.365 179.815 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 50.3 tp -61.65 141.45 57.81 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.203 0.525 . . . . 0.0 111.69 -179.562 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -92.59 141.59 28.32 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.358 -0.978 . . . . 0.0 108.358 178.153 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -83.81 -12.37 55.73 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -178.967 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.7 p -72.46 -16.54 61.81 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 121.03 -0.268 . . . . 0.0 111.085 179.755 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -82.51 175.24 10.36 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 121.053 0.454 . . . . 0.0 111.765 -179.528 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 29.6 mtt180 -124.62 -68.16 0.87 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.088 -179.457 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 24.6 p80 -63.15 -173.3 0.05 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.003 -179.716 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 49.6 mt -144.59 80.01 1.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.189 0.519 . . . . 0.0 110.345 179.129 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -142.62 102.99 4.16 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.875 -179.6 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 36.6 pt -83.92 170.12 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.97 -179.892 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 11.8 p -80.26 172.27 13.99 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.396 179.606 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -73.4 -36.84 66.07 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.062 0.458 . . . . 0.0 110.384 179.52 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 78.1 t80 -52.82 -57.5 9.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.452 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . 0.495 ' ND1' HD12 ' A' ' 69' ' ' LEU . 16.3 m170 -66.84 -38.29 86.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.647 -179.399 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.24 -50.67 68.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.045 0.45 . . . . 0.0 110.538 179.613 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -70.1 -39.87 75.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.832 -179.753 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 8.2 tt -61.19 -38.36 86.27 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.952 -0.567 . . . . 0.0 112.044 -178.972 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.599 HG21 HG23 ' A' ' 89' ' ' ILE . 72.3 mt -90.7 -45.54 14.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 113.218 0.821 . . . . 0.0 113.218 -177.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -50.68 -43.75 57.56 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 -178.471 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 N-CA-C 114.865 1.432 . . . . 0.0 114.865 -175.594 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 121.298 0.571 . . . . 0.0 111.721 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 87.9 mt -114.15 151.44 32.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.428 179.552 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.43 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 46.5 t -56.51 139.32 49.82 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.803 179.728 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 2.0 m -102.92 27.21 7.27 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 112.219 0.452 . . . . 0.0 112.219 -179.304 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 94.5 mt -113.68 163.06 15.48 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 178.183 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.44 ' HA ' ' O ' ' A' ' 74' ' ' GLU . 31.4 mtp180 -128.66 108.78 10.77 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.886 -0.326 . . . . 0.0 111.433 -179.751 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -99.24 106.43 18.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.057 179.183 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 66.47 42.04 3.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.846 -179.161 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 78.52 -6.65 51.94 Favored Glycine 0 CA--C 1.52 0.346 0 C-N-CA 120.956 -0.64 . . . . 0.0 113.412 179.624 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.44 ' O ' ' HA ' ' A' ' 70' ' ' ARG . 5.5 mm-40 -96.05 135.29 38.02 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 117.095 0.448 . . . . 0.0 111.022 -179.628 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.545 ' O ' ' N ' ' A' ' 77' ' ' GLY . 15.5 mmm-85 -82.39 54.84 2.71 Favored 'General case' 0 C--O 1.225 -0.207 0 C-N-CA 120.841 -0.344 . . . . 0.0 111.405 -179.339 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.43 ' HB3' ' HB3' ' A' ' 67' ' ' CYS . 0.5 OUTLIER 49.03 -64.23 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 179.539 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.545 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 90.87 -13.68 65.32 Favored Glycine 0 N--CA 1.449 -0.466 0 N-CA-C 111.336 -0.706 . . . . 0.0 111.336 -178.388 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 20.5 ttt180 -84.71 163.19 19.34 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 120.72 0.295 . . . . 0.0 110.361 179.769 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -83.2 152.12 25.36 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.595 -179.437 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.81 153.59 41.84 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.004 178.939 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -114.99 -131.38 5.04 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.203 -0.999 . . . . 0.0 114.109 -178.547 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -104.32 -29.26 10.88 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -178.177 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.495 ' HB2' ' CD ' ' A' ' 116' ' ' LYS . . . -62.95 172.85 1.56 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.098 0.475 . . . . 0.0 111.747 -179.395 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.7 m -146.22 138.67 25.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.859 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -59.55 126.5 27.88 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 178.924 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 86.6 p -130.76 -171.73 2.64 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.075 0.464 . . . . 0.0 111.526 -179.161 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 46.4 mttp -77.69 -46.82 20.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.964 178.991 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.9 -34.45 54.94 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.118 179.279 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.915 HG23 HG21 ' A' ' 119' ' ' ILE . 19.2 mt -71.59 -45.32 68.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 178.955 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -55.64 -47.73 76.14 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 178.093 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 15.4 mmtm -60.35 -47.29 86.7 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 114.316 -1.311 . . . . 0.0 110.073 178.398 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 13.9 t -54.29 -39.66 67.16 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.487 179.738 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 74.9 mt -76.21 -35.98 29.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.098 179.202 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 26.0 t -54.41 -44.22 72.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.212 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 35.9 tp60 -71.17 -6.76 41.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.074 179.655 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.2 mmmm -106.76 -56.57 2.18 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 121.031 0.443 . . . . 0.0 110.49 179.223 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 75.53 71.52 0.09 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.576 -178.9 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 18.1 m -118.37 174.28 4.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.523 -179.123 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -77.75 61.14 2.37 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.155 -179.628 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 82.6 mt -138.93 106.88 3.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.231 179.269 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -132.62 144.36 50.3 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.647 -179.919 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.2 tp -68.59 134.3 49.77 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.728 -179.534 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -74.02 134.32 43.02 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 177.881 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 24.3 mtmm -86.38 -29.88 22.58 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.984 -0.286 . . . . 0.0 111.674 -178.827 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 14.5 p -71.07 -6.8 41.88 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.642 179.769 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -65.47 176.41 1.45 Allowed 'General case' 0 C--O 1.23 0.077 0 CA-C-O 121.162 0.505 . . . . 0.0 111.841 -179.541 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -127.44 -40.0 1.82 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.286 179.951 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 9.1 p80 -105.99 161.46 14.45 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.98 -0.555 . . . . 0.0 112.154 -178.237 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 73.9 mt -118.54 70.28 0.81 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.294 179.241 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -139.94 106.45 5.32 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.373 -179.703 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 25.6 pt -83.27 179.21 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.826 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 7.7 p -92.44 174.18 7.41 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.247 179.407 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -69.61 -32.43 71.15 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.105 0.479 . . . . 0.0 110.421 179.739 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -55.23 -62.2 1.82 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.68 -179.641 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 24.5 m80 -64.76 -34.87 79.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.452 -179.321 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.495 ' CD ' ' HB2' ' A' ' 83' ' ' ALA . 10.8 ttpp -57.7 -52.93 63.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.918 0.39 . . . . 0.0 110.375 179.78 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -68.74 -35.92 77.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.294 -179.439 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.443 HD23 ' O ' ' A' ' 118' ' ' LEU . 3.3 tt -65.87 -40.94 92.12 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.695 -179.172 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.915 HG21 HG23 ' A' ' 89' ' ' ILE . 73.7 mt -85.57 -40.62 14.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 -177.966 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.414 ' HB2' ' O ' ' A' ' 116' ' ' LYS . 5.3 mt-30 -62.27 -37.59 86.07 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -178.601 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 69.5 m . . . . . 0 C--N 1.326 -0.418 0 N-CA-C 115.21 1.559 . . . . 0.0 115.21 -176.035 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 . . . . . 0 CA--C 1.522 -0.12 0 CA-C-O 121.183 0.516 . . . . 0.0 112.02 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 70.3 mt -107.64 163.2 13.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.474 179.277 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.486 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 48.5 t -61.67 145.34 52.59 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.96 179.836 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 34.0 m -106.63 29.2 7.14 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -179.334 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 84.1 mt -119.55 170.94 8.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.746 0.308 . . . . 0.0 110.27 178.428 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.466 ' HG2' ' HD2' ' A' ' 75' ' ' ARG . 12.0 mtp180 -135.8 111.54 9.38 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.218 -179.764 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 54.8 tt0 -91.89 107.73 19.42 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 178.988 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 60.49 21.17 10.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.685 -179.197 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 106.21 -14.75 43.77 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.706 -0.759 . . . . 0.0 113.294 179.503 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -88.1 137.89 31.93 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.267 0.555 . . . . 0.0 111.947 -179.363 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.498 ' O ' ' N ' ' A' ' 77' ' ' GLY . 43.6 mmm-85 -80.38 61.75 4.26 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.195 -0.911 . . . . 0.0 111.952 -178.9 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.486 ' HB3' ' HB3' ' A' ' 67' ' ' CYS . 2.8 t 34.9 -82.96 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 178.763 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 115.81 -14.97 16.89 Favored Glycine 0 C--N 1.336 0.542 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.494 -179.156 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -88.43 159.2 18.11 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.718 0.294 . . . . 0.0 110.64 179.924 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.3 153.84 42.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.977 0.418 . . . . 0.0 111.923 -179.605 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -85.92 137.26 32.86 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.043 179.001 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -104.55 -153.63 22.6 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.482 -0.866 . . . . 0.0 113.956 -178.64 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -78.93 -4.6 50.64 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -178.966 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.414 ' HB2' ' HD3' ' A' ' 116' ' ' LYS . . . -81.03 151.11 28.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.973 0.416 . . . . 0.0 111.639 -179.448 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.6 m -127.11 151.49 48.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.521 179.675 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -78.35 141.67 38.25 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 178.989 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 16.1 p -149.28 -174.87 4.78 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.036 0.446 . . . . 0.0 111.857 -178.967 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.5 mmtm -71.07 -42.4 69.46 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.27 179.555 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -54.67 -45.35 73.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.179 179.181 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.41 ' O ' HG13 ' A' ' 93' ' ' ILE . 44.7 mt -64.67 -37.61 80.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.925 179.225 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -60.62 -51.69 68.32 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-O 121.735 0.779 . . . . 0.0 109.065 178.353 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.1 mmpp? -58.39 -43.98 88.74 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 114.417 -1.265 . . . . 0.0 109.981 178.705 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 43.9 t -58.89 -39.72 82.31 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.439 179.378 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.41 HG13 ' O ' ' A' ' 89' ' ' ILE . 61.6 mt -73.13 -36.57 50.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.077 0.465 . . . . 0.0 110.153 179.197 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 36.5 t -57.44 -43.31 83.81 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.975 179.941 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 -58.64 -44.38 90.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.993 0.425 . . . . 0.0 110.07 179.566 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 43.6 mttp -70.19 -34.74 73.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.119 179.077 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 46.2 tptt 59.57 56.74 3.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.338 -178.764 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 31.5 m -105.53 174.55 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.592 -179.212 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -87.02 62.65 7.5 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.358 -179.699 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 77.2 mt -137.15 115.34 14.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.279 179.308 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -137.1 162.94 32.02 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.765 -179.872 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 19.5 tp -81.13 143.24 32.54 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.308 0.575 . . . . 0.0 111.492 -179.896 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -95.84 139.0 32.69 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 177.294 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -89.34 -3.24 58.55 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -178.726 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 59.5 p -76.62 -35.1 58.27 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.805 0.336 . . . . 0.0 111.24 -179.759 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -48.05 150.57 1.14 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.048 0.452 . . . . 0.0 111.875 -179.271 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -92.58 -23.3 19.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.053 179.711 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 13.0 p80 -130.17 -171.53 2.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.146 -179.288 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 85.9 mt -131.67 88.63 2.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.519 179.191 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -147.25 127.47 13.84 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.419 179.617 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 38.0 pt -105.91 170.73 2.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.86 179.914 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 23.0 p -86.93 168.56 13.27 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.511 179.61 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -69.28 -29.48 67.37 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.078 0.466 . . . . 0.0 110.364 179.592 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -55.53 -61.6 2.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.399 -179.941 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 22.8 m80 -63.88 -40.01 95.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.698 -179.418 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.414 ' HD3' ' HB2' ' A' ' 83' ' ' ALA . 18.2 ttpp -52.31 -53.71 40.84 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.038 0.447 . . . . 0.0 110.7 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -63.75 -42.95 97.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.979 -179.833 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.506 HD23 ' O ' ' A' ' 118' ' ' LEU . 3.7 tt -58.86 -42.5 89.55 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.726 -179.401 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 61.6 mt -82.81 -48.55 17.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 113.256 0.836 . . . . 0.0 113.256 -178.036 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.71 -33.87 75.75 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 -178.012 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 61.0 m . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 115.106 1.521 . . . . 0.0 115.106 -176.252 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 . . . . . 0 CA--C 1.52 -0.173 0 CA-C-O 120.919 0.39 . . . . 0.0 110.767 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -114.53 166.12 12.04 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.596 179.462 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 49.4 t -55.75 138.05 48.53 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.34 -0.846 . . . . 0.0 111.431 -179.7 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 22.4 p -102.1 24.61 9.86 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.938 0.399 . . . . 0.0 111.144 179.846 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 32.3 mt -126.08 159.7 32.1 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 179.326 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.466 ' HG2' ' HD3' ' A' ' 75' ' ' ARG . 8.2 mtp-105 -130.44 109.47 10.74 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.163 -179.779 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -90.49 120.13 31.33 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 179.07 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 57.57 32.67 22.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.51 -179.074 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 84.24 -2.76 87.44 Favored Glycine 0 CA--C 1.52 0.345 0 C-N-CA 120.99 -0.624 . . . . 0.0 113.292 179.516 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -99.79 135.29 41.44 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 117.131 0.465 . . . . 0.0 111.207 -179.806 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.495 ' O ' ' N ' ' A' ' 77' ' ' GLY . 1.7 tpp85 -74.72 58.02 0.79 Allowed 'General case' 0 N--CA 1.462 0.13 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.71 -179.197 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 7.4 t 46.54 -79.39 0.0 OUTLIER 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 179.571 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 117.85 -28.02 7.22 Favored Glycine 0 C--N 1.331 0.301 0 C-N-CA 120.954 -0.641 . . . . 0.0 111.525 -179.068 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 27.6 ttt180 -86.4 132.48 33.94 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 179.149 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.27 164.5 0.45 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.934 0.397 . . . . 0.0 111.708 -178.833 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.4 165.18 25.07 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.507 -179.682 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -129.76 -149.82 6.84 Favored Glycine 0 C--N 1.334 0.454 0 C-N-CA 120.481 -0.866 . . . . 0.0 113.681 -179.244 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -83.56 -40.81 18.64 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -178.686 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -55.13 161.87 1.58 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.1 0.476 . . . . 0.0 111.661 -179.245 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -127.53 171.22 11.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.236 179.608 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -95.11 108.33 20.43 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 178.845 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 38.4 p -112.38 -170.14 1.61 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.688 -178.594 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.4 -45.87 24.51 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.433 179.744 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.78 -45.0 66.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.248 179.392 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.477 HG23 HG21 ' A' ' 119' ' ' ILE . 76.8 mt -62.86 -34.5 66.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 179.105 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -68.45 -52.33 33.77 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-O 121.613 0.72 . . . . 0.0 109.376 178.74 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.33 -41.77 63.27 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 114.758 -1.11 . . . . 0.0 110.083 179.135 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.419 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 36.6 m -61.6 -52.57 63.84 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 178.746 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 97.3 mt -53.33 -35.39 24.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.11 179.053 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 50.8 m -69.3 -35.87 76.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.135 -179.722 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.422 ' NE2' ' HA ' ' A' ' 95' ' ' GLN . 7.3 tp-100 -77.51 -46.12 23.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.227 179.416 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.419 ' HG3' ' O ' ' A' ' 92' ' ' SER . 3.4 mtpm? -63.15 -37.99 89.41 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 121.209 0.528 . . . . 0.0 109.643 178.723 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? 66.73 80.2 0.22 Allowed 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.674 -179.187 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 27.0 m -134.34 157.23 41.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.147 -179.089 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.3 mmmm -76.94 58.13 1.44 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.208 -179.807 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 53.8 mt -131.29 108.95 15.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.139 179.428 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -130.53 168.69 16.64 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.659 -179.833 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 36.7 tp -82.14 132.04 35.24 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.199 0.523 . . . . 0.0 110.852 179.544 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 59.6 t0 -91.52 126.15 36.51 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 179.487 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 46.3 mttp -74.85 -17.37 60.61 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -178.588 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.15 -28.22 66.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.923 0.392 . . . . 0.0 110.487 179.653 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -68.23 139.98 56.04 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.521 -179.625 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -101.89 39.68 1.43 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.588 -179.945 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 26.4 p80 -177.91 -179.21 0.74 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.638 -179.574 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 91.4 mt -129.45 92.34 3.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.341 179.301 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -153.05 126.38 8.63 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.534 179.762 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 41.6 pt -108.7 164.5 5.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.765 179.847 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 8.3 p -80.55 166.43 21.16 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.523 179.528 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -68.39 -34.12 75.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.092 0.473 . . . . 0.0 110.378 179.929 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -52.73 -54.9 27.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.314 179.921 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 14.1 m170 -69.07 -37.28 78.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.727 -179.44 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 5.9 ttpp -55.21 -51.25 67.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.046 0.45 . . . . 0.0 110.552 179.592 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -71.81 -34.1 69.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.188 -179.751 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.548 HD23 ' O ' ' A' ' 118' ' ' LEU . 6.7 tt -68.04 -31.06 70.46 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.606 -179.301 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.477 HG21 HG23 ' A' ' 89' ' ' ILE . 77.9 mt -93.57 -45.79 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 -178.019 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -67.21 -41.22 86.17 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 -178.072 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 12.8 m . . . . . 0 C--N 1.328 -0.346 0 N-CA-C 114.923 1.453 . . . . 0.0 114.923 -175.462 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 . . . . . 0 N--CA 1.455 -0.216 0 CA-C-O 120.885 0.374 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 45.5 mt -107.05 149.82 27.17 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.828 -179.842 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.448 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 12.9 t -48.05 127.23 12.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.691 179.595 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 35.9 m -90.7 32.42 0.98 Allowed 'General case' 0 N--CA 1.462 0.142 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -178.9 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 82.6 mt -112.65 163.11 14.93 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 178.349 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.409 ' HG2' ' HD3' ' A' ' 75' ' ' ARG . 29.3 mtp180 -130.9 143.83 51.02 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.8 0.333 . . . . 0.0 111.033 -179.702 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -125.33 109.32 12.64 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.34 179.26 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 58.73 43.38 18.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.51 -179.524 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 74.65 0.19 58.17 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.862 -0.685 . . . . 0.0 113.036 -179.852 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -113.01 127.1 56.14 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 121.008 0.432 . . . . 0.0 111.218 -179.752 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.409 ' HD3' ' HG2' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -55.69 159.23 3.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.801 -179.28 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.448 ' HB3' ' HB3' ' A' ' 67' ' ' CYS . 25.9 t -70.89 -54.57 10.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.078 179.098 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 92.43 -32.06 5.72 Favored Glycine 0 C--N 1.33 0.247 0 C-N-CA 120.791 -0.718 . . . . 0.0 113.103 179.23 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.446 ' HD3' ' HB2' ' A' ' 112' ' ' CYS . 34.3 ttt-85 -68.33 144.26 54.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.842 0.353 . . . . 0.0 110.621 -179.812 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.407 ' O ' ' HB3' ' A' ' 112' ' ' CYS . . . -56.84 155.83 7.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.647 -179.568 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.94 152.59 40.07 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.196 179.281 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -108.61 -147.44 12.58 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.427 -0.892 . . . . 0.0 113.773 -178.881 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -105.88 7.1 32.06 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -178.892 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -97.83 178.58 5.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.097 0.475 . . . . 0.0 111.423 -179.537 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.8 p -138.22 159.59 41.64 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.653 179.891 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.52 ' CD2' HD13 ' A' ' 102' ' ' LEU . 76.7 t80 -95.33 123.63 38.95 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.343 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 88.6 p -128.05 -158.86 0.9 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.509 -178.603 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.0 -41.61 25.49 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.422 0.629 . . . . 0.0 110.614 179.361 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.1 ttm-85 -52.32 -49.72 63.68 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.51 -179.109 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.779 HG23 HG21 ' A' ' 119' ' ' ILE . 95.3 mt -63.92 -35.9 74.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.67 179.913 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.7 -44.86 92.42 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 178.821 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -62.05 -52.54 63.51 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.785 178.688 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.41 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 8.4 t -52.1 -43.42 63.91 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.024 179.533 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.465 HG23 ' CG2' ' A' ' 98' ' ' VAL . 70.6 mt -60.98 -49.29 85.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.208 179.0 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.7 t -54.97 -48.07 73.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.179 -179.491 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.96 -37.9 89.19 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.033 0.444 . . . . 0.0 109.928 179.635 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.41 ' HG3' ' O ' ' A' ' 92' ' ' SER . 13.9 mtpp -68.96 -28.58 66.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.012 178.668 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.59 76.53 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.822 -179.161 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.465 ' CG2' HG23 ' A' ' 93' ' ' ILE . 29.0 m -135.53 162.82 36.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.1 -179.451 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 32.4 mttp -90.28 71.27 7.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.567 -179.587 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.409 ' HA ' ' O ' ' A' ' 70' ' ' ARG . 34.3 mt -138.07 98.84 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.02 0.438 . . . . 0.0 110.311 178.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -109.11 160.99 15.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.693 -179.915 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.52 HD13 ' CD2' ' A' ' 85' ' ' PHE . 1.3 tp -78.16 133.11 37.85 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.134 0.492 . . . . 0.0 111.607 -179.786 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -67.84 133.47 49.24 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 177.527 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 9.8 mtmt -101.8 -10.11 20.2 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -178.586 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.7 t -92.82 20.92 6.04 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.699 0.285 . . . . 0.0 110.643 179.586 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -106.93 -169.28 1.52 Allowed 'General case' 0 C--O 1.231 0.106 0 CA-C-O 120.949 0.404 . . . . 0.0 111.578 -179.426 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 15.7 mtp85 -126.53 -70.41 0.73 Allowed 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.238 -179.61 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 29.1 p80 -75.14 -172.01 1.56 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.44 -179.005 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 62.2 mt -138.6 81.18 1.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.863 179.134 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -138.45 115.57 10.97 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.858 -179.548 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 32.9 pt -99.25 166.1 2.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.028 -179.701 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . 0.446 ' HB2' ' HD3' ' A' ' 78' ' ' ARG . 9.5 p -73.32 164.62 26.42 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.765 179.755 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.46 ' OD1' ' N ' ' A' ' 113' ' ' ASP . 0.4 OUTLIER -65.93 -39.52 90.6 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.279 0.561 . . . . 0.0 110.028 179.735 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -50.0 -56.35 11.04 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.171 -0.922 . . . . 0.0 111.449 -179.899 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 5.8 m170 -69.68 -29.17 66.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.679 -179.364 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.446 ' O ' ' HB2' ' A' ' 120' ' ' GLN . 13.0 ttpp -62.95 -54.55 36.64 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.462 179.78 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.53 -42.71 78.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.996 -179.6 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.526 HD23 ' O ' ' A' ' 118' ' ' LEU . 5.4 tt -58.75 -47.8 83.42 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.171 -179.0 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.779 HG21 HG23 ' A' ' 89' ' ' ILE . 79.1 mt -80.16 -39.73 19.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 113.55 0.945 . . . . 0.0 113.55 -177.8 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.446 ' HB2' ' O ' ' A' ' 116' ' ' LYS . 39.7 mt-30 -70.33 -40.83 73.92 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 -178.349 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 2.7 t . . . . . 0 C--N 1.328 -0.358 0 N-CA-C 115.013 1.486 . . . . 0.0 115.013 -174.856 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.807 ' O ' HD12 ' A' ' 66' ' ' LEU . 3.0 mp0 . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.841 0.353 . . . . 0.0 110.504 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.807 HD12 ' O ' ' A' ' 65' ' ' GLN . 1.7 mp -139.01 138.58 37.36 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.305 0.574 . . . . 0.0 112.018 179.66 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 38.4 t -43.77 146.36 0.57 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 114.962 -1.017 . . . . 0.0 111.408 -179.821 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 17.7 p -106.84 20.52 18.91 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.384 179.887 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 94.6 mt -106.09 163.19 12.97 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 178.824 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 54.0 mtt-85 -127.9 120.16 27.11 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.249 -179.55 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 64.0 tt0 -103.49 117.59 34.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.087 178.958 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 55.46 38.15 29.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.774 -179.413 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 79.84 -6.97 57.3 Favored Glycine 0 CA--C 1.52 0.352 0 C-N-CA 120.866 -0.683 . . . . 0.0 113.217 179.671 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.401 ' O ' ' N ' ' A' ' 76' ' ' CYS . 70.5 mm-40 -93.72 127.16 39.29 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 117.088 0.444 . . . . 0.0 111.093 -179.71 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.9 tpp85 -65.61 64.89 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.8 -0.636 . . . . 0.0 112.451 -178.791 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.401 ' N ' ' O ' ' A' ' 74' ' ' GLU . 10.5 t 36.66 -92.31 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 178.61 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 121.02 -33.93 4.21 Favored Glycine 0 C--N 1.334 0.441 0 C-N-CA 120.39 -0.91 . . . . 0.0 112.539 -179.552 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 46.7 ttt180 -73.92 152.11 40.23 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 179.269 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.01 160.11 32.6 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.927 0.394 . . . . 0.0 111.648 -178.78 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.27 166.32 21.82 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.606 -179.559 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -122.71 -125.9 3.12 Favored Glycine 0 CA--C 1.52 0.368 0 C-N-CA 120.484 -0.865 . . . . 0.0 113.696 -179.099 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -117.09 -4.96 11.42 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 112.68 0.622 . . . . 0.0 112.68 -178.295 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -94.62 168.2 10.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.101 0.477 . . . . 0.0 111.774 -179.395 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -131.65 170.53 14.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.26 179.667 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -90.54 133.93 34.73 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 179.222 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 60.2 p -137.92 -163.74 1.5 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.985 0.421 . . . . 0.0 111.175 -179.196 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.6 mmtm -80.25 -49.24 11.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.758 178.617 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -51.54 -41.67 61.23 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.789 -179.337 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.42 ' O ' HG13 ' A' ' 93' ' ' ILE . 55.4 mt -65.87 -44.31 92.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.151 179.436 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 16.4 tm0? -55.54 -51.45 67.02 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.076 0.465 . . . . 0.0 109.968 179.052 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.3 tmtp? -62.81 -42.5 99.74 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.693 179.325 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.404 ' OG ' ' NZ ' ' A' ' 96' ' ' LYS . 29.1 t -57.59 -32.67 67.41 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.053 178.854 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 89' ' ' ILE . 96.7 mt -75.64 -46.53 36.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.945 179.014 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.429 ' O ' ' HG3' ' A' ' 97' ' ' LYS . 25.8 t -54.07 -46.48 71.99 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.183 -179.89 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 37.1 tp60 -63.82 -28.06 69.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.977 0.418 . . . . 0.0 110.058 179.678 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.421 ' HE2' ' HA ' ' A' ' 119' ' ' ILE . 35.3 mttp -80.25 -43.39 21.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.34 179.059 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.429 ' HG3' ' O ' ' A' ' 94' ' ' SER . 8.6 mttp 71.21 85.11 0.13 Allowed 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.53 -178.568 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 22.0 m -142.03 159.52 20.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.093 -179.259 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 51.7 mttm -79.95 55.12 2.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.438 -179.617 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 73.3 mt -119.12 103.36 14.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.198 -0.455 . . . . 0.0 109.893 179.354 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -118.82 163.78 16.38 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.842 -179.835 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 19.7 tp -92.01 136.53 33.09 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.077 -179.886 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 58.6 t0 -87.22 121.78 30.12 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 179.204 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 3.5 mtmm -82.27 -11.54 58.58 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -178.641 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.3 m -84.0 4.86 27.99 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.65 0.262 . . . . 0.0 110.848 178.917 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -69.27 178.38 2.39 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-O 121.354 0.597 . . . . 0.0 112.086 -179.042 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -122.0 -5.89 8.99 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.113 -0.949 . . . . 0.0 111.289 -179.788 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 20.3 p80 -154.55 -172.19 4.11 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 120.714 0.292 . . . . 0.0 110.296 -179.707 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 109' ' ' LEU . 35.5 mt -135.84 80.47 1.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.266 0.555 . . . . 0.0 109.907 178.787 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -137.8 133.25 33.79 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.545 -179.154 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 32.2 pt -115.97 141.84 31.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.081 -179.686 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 5.8 p -61.64 152.46 30.69 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.433 179.522 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -56.08 -29.93 61.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.077 0.465 . . . . 0.0 110.254 179.797 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -55.56 -61.26 2.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.36 -179.935 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 22.2 m170 -66.53 -39.75 88.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.793 -179.383 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 5.3 ttpp -55.31 -53.09 60.52 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.01 0.433 . . . . 0.0 110.534 179.803 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 34.5 t-20 -66.17 -42.94 88.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.995 -179.63 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.602 HD23 ' O ' ' A' ' 118' ' ' LEU . 5.0 tt -57.22 -37.37 72.13 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.808 -179.309 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.421 ' HA ' ' HE2' ' A' ' 96' ' ' LYS . 59.5 mt -89.52 -40.75 13.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 -177.687 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -66.23 -43.51 86.41 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 113.524 0.935 . . . . 0.0 113.524 -178.151 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 77.0 p . . . . . 0 N--CA 1.468 0.431 0 N-CA-C 114.592 1.33 . . . . 0.0 114.592 -175.808 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 . . . . . 0 N--CA 1.455 -0.219 0 CA-C-O 120.772 0.32 . . . . 0.0 110.498 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 82.2 mt -116.41 173.75 6.43 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.03 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 18.5 t -74.16 144.57 44.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.524 179.606 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.404 ' O ' HD23 ' A' ' 69' ' ' LEU . 31.4 p -107.8 37.24 2.49 Favored 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -179.229 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.404 HD23 ' O ' ' A' ' 68' ' ' CYS . 46.5 mt -125.79 155.48 41.01 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 178.672 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.453 ' HG2' ' HD2' ' A' ' 75' ' ' ARG . 14.2 mtp180 -125.31 120.16 30.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.895 0.379 . . . . 0.0 111.225 -179.78 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -101.68 109.64 21.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.039 179.158 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 54.24 30.28 12.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.615 -179.232 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 95.81 -9.21 68.42 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.844 -0.694 . . . . 0.0 113.228 179.687 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -85.21 125.47 32.88 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 117.038 0.419 . . . . 0.0 111.293 -179.536 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.453 ' HD2' ' HG2' ' A' ' 70' ' ' ARG . 12.3 mmm180 -80.83 60.33 4.04 Favored 'General case' 0 CA--C 1.528 0.133 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.646 -179.33 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 7.6 t 31.89 -87.61 0.0 OUTLIER 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 179.224 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 113.75 -20.61 17.47 Favored Glycine 0 C--N 1.335 0.516 0 C-N-CA 120.51 -0.852 . . . . 0.0 112.737 -179.455 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 59.9 ttt85 -80.16 143.88 33.48 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.824 0.345 . . . . 0.0 110.537 179.849 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.65 154.07 18.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.824 -179.419 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.85 146.07 46.48 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.083 179.053 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -108.73 -126.54 5.38 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.326 -0.94 . . . . 0.0 114.005 -178.625 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -117.01 12.14 14.5 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -178.183 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.604 ' HB2' ' HD3' ' A' ' 116' ' ' LYS . . . -106.51 136.82 45.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.053 0.454 . . . . 0.0 111.698 -179.422 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 38.8 p -107.83 150.55 26.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.443 179.456 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -75.67 122.47 24.02 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 179.043 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 77.0 p -128.85 -168.72 1.96 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.065 0.46 . . . . 0.0 111.425 -179.25 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.6 mtpm? -78.22 -40.94 35.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.898 179.007 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.04 -37.37 69.15 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.337 179.566 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.654 HG23 HG21 ' A' ' 119' ' ' ILE . 16.2 mt -71.03 -35.11 57.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 178.604 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -63.11 -44.17 96.38 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.207 0.527 . . . . 0.0 109.681 179.032 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.1 tmtm? -65.58 -43.15 90.64 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.846 179.051 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 31.2 t -57.98 -43.14 86.35 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.054 178.967 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.419 HG23 HG22 ' A' ' 98' ' ' VAL . 96.7 mt -64.43 -45.82 94.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.917 179.119 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 13.7 t -55.13 -44.45 75.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.008 179.898 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -63.14 -19.87 64.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.773 179.377 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.451 ' HE3' ' HA ' ' A' ' 119' ' ' ILE . 3.9 mtpm? -97.09 -35.65 10.74 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.196 0.522 . . . . 0.0 109.975 178.97 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? 59.31 75.85 0.38 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.61 -178.472 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.434 HG21 HD12 ' A' ' 100' ' ' ILE . 25.3 m -121.61 170.15 12.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.187 -179.145 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 4.4 mmtm -85.89 45.75 1.24 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.433 -179.742 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.434 HD12 HG21 ' A' ' 98' ' ' VAL . 72.3 mt -117.13 108.73 25.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.842 0.353 . . . . 0.0 110.11 179.465 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -123.17 162.2 22.99 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.096 -179.13 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 19.7 tp -82.65 141.86 32.16 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.187 179.942 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -89.33 134.53 34.02 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 178.213 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.2 mmpp? -84.98 -24.02 28.45 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 111.817 0.303 . . . . 0.0 111.817 -178.621 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 52.2 p -66.36 -21.71 66.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.738 0.304 . . . . 0.0 111.192 -179.857 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -65.79 149.29 50.4 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.099 0.476 . . . . 0.0 111.748 -179.463 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -106.55 -38.74 6.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.712 -179.707 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 16.2 p80 -91.18 168.58 11.51 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.522 -179.303 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 53.3 mt -125.89 73.96 1.39 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.155 179.443 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -143.89 134.15 24.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.363 179.835 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 32.6 pt -116.83 164.66 12.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.927 179.966 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 13.8 p -74.71 170.43 15.85 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.543 179.681 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.421 ' OD1' ' HE3' ' A' ' 116' ' ' LYS . 1.4 t70 -71.93 -35.21 69.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.175 0.512 . . . . 0.0 110.2 179.81 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -48.97 -61.1 2.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.476 -179.896 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 17.1 m80 -65.17 -35.07 79.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.813 -179.339 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.604 ' HD3' ' HB2' ' A' ' 83' ' ' ALA . 11.1 ttpp -56.65 -46.58 80.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.928 0.394 . . . . 0.0 110.602 179.849 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -74.15 -38.39 63.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.121 -179.688 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.612 HD23 ' O ' ' A' ' 118' ' ' LEU . 2.0 tt -64.2 -36.14 83.1 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.514 -179.51 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.654 HG21 HG23 ' A' ' 89' ' ' ILE . 72.7 mt -89.42 -44.01 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 -177.938 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -65.86 -38.85 89.92 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 -178.376 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 19.2 m . . . . . 0 C--N 1.327 -0.397 0 N-CA-C 115.015 1.487 . . . . 0.0 115.015 -175.896 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 . . . . . 0 N--CA 1.455 -0.177 0 CA-C-O 120.712 0.291 . . . . 0.0 110.292 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.95 148.82 34.21 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.141 0.496 . . . . 0.0 111.449 179.471 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 46.3 t -45.89 139.28 4.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.346 -179.735 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 32.0 p -102.87 27.18 7.27 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.96 0.409 . . . . 0.0 111.177 -179.976 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 57.7 mt -117.96 154.86 31.24 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 179.011 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.403 ' HA ' ' O ' ' A' ' 74' ' ' GLU . 22.3 mtp180 -122.99 116.31 23.34 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.25 -179.163 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 65.7 tt0 -97.37 110.38 22.95 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 178.893 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 66.23 29.66 9.54 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.59 -178.911 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 93.7 -17.48 58.51 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.89 -0.671 . . . . 0.0 113.075 179.474 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.403 ' O ' ' HA ' ' A' ' 70' ' ' ARG . 5.5 mm-40 -90.16 136.23 33.18 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.912 0.387 . . . . 0.0 111.489 -179.541 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 77' ' ' GLY . 14.8 tpp85 -73.24 63.38 0.72 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.769 -0.65 . . . . 0.0 112.67 -178.406 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 10.4 t 43.79 -85.72 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 178.406 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 114.41 -2.14 23.62 Favored Glycine 0 C--N 1.334 0.42 0 C-N-CA 120.48 -0.866 . . . . 0.0 112.939 -179.485 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 65.0 ttt180 -104.86 142.49 34.65 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 179.358 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.25 141.3 58.82 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.063 0.458 . . . . 0.0 111.839 -178.788 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -54.43 157.29 2.89 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.267 -179.823 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -112.81 -128.33 4.92 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.595 -0.812 . . . . 0.0 113.786 -179.065 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -117.16 10.09 13.74 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -178.371 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.442 ' HB2' ' CD ' ' A' ' 116' ' ' LYS . . . -105.6 168.06 9.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.147 0.499 . . . . 0.0 111.694 -179.405 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 59.8 p -135.12 137.99 43.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.67 179.693 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -61.7 129.49 41.31 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 179.092 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 56.4 p -134.41 -163.77 1.42 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.09 0.471 . . . . 0.0 111.478 -179.079 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.475 ' NZ ' ' HB2' ' A' ' 87' ' ' LYS . 1.0 OUTLIER -78.08 -47.9 17.26 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.499 179.402 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.6 tmm_? -51.89 -46.24 64.46 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.288 179.928 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.427 HG23 HG21 ' A' ' 119' ' ' ILE . 33.0 mt -62.8 -31.85 53.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 178.956 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -68.76 -45.65 70.87 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 178.381 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.6 mmtm -60.84 -40.12 91.65 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 114.818 -1.083 . . . . 0.0 109.856 178.73 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.6 t -65.84 -49.29 68.72 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.272 179.234 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 89' ' ' ILE . 64.2 mt -64.24 -32.12 56.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.184 179.213 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 38.5 m -67.49 -49.48 63.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.066 -179.966 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -67.56 -34.35 76.89 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 179.49 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.8 mtpm? -65.3 -41.41 94.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.287 0.565 . . . . 0.0 109.84 178.551 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 16.5 tttp 62.99 67.7 0.67 Allowed 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.346 -178.611 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 11.4 m -121.06 178.75 2.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.134 -0.939 . . . . 0.0 111.232 -179.243 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 6.5 mttp -95.42 45.67 1.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.581 -179.542 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 69.2 mt -122.28 94.73 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.258 179.059 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -113.82 164.48 13.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.073 0.463 . . . . 0.0 110.948 -179.867 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 12.1 tp -84.65 140.25 31.46 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.201 179.857 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 32.6 t0 -89.73 140.34 29.67 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 177.794 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 22.2 mtmm -98.34 -8.05 27.77 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 -178.472 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 9.1 p -81.85 -4.21 55.93 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 121.047 -0.261 . . . . 0.0 110.937 179.107 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -70.96 163.82 26.72 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-O 121.264 0.554 . . . . 0.0 112.012 -179.246 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.59 14.36 16.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.641 179.836 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . 0.405 ' O ' HD23 ' A' ' 109' ' ' LEU . 11.4 p80 -165.16 172.28 12.72 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 120.942 0.401 . . . . 0.0 110.726 -178.973 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.405 HD23 ' O ' ' A' ' 108' ' ' HIS . 49.8 mt -128.75 87.1 2.53 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.167 178.863 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -147.01 111.72 5.31 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.34 179.927 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 35.4 pt -89.32 173.15 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.964 -179.971 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 9.4 p -88.66 167.6 13.22 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.539 179.621 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -65.6 -35.83 81.95 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.109 0.481 . . . . 0.0 110.32 179.652 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -53.7 -58.88 5.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.325 179.896 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -66.97 -33.7 76.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.734 -179.381 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.442 ' CD ' ' HB2' ' A' ' 83' ' ' ALA . 15.9 ttpp -57.04 -53.09 62.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.95 0.405 . . . . 0.0 110.477 179.707 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -69.57 -42.58 74.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.307 -179.496 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.582 HD23 ' O ' ' A' ' 118' ' ' LEU . 5.9 tt -56.69 -40.06 74.92 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.598 -179.386 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.427 HG21 HG23 ' A' ' 89' ' ' ILE . 53.6 mt -87.34 -41.35 14.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 -177.789 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -65.75 -40.57 92.23 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 -178.44 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 15.7 p . . . . . 0 N--CA 1.466 0.343 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 -175.775 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 121.12 0.486 . . . . 0.0 111.984 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 24.2 mt -115.96 148.21 40.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.79 -179.89 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 41.4 t -47.82 144.02 3.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 179.732 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 20.4 p -104.07 32.31 4.04 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.823 0.344 . . . . 0.0 111.552 -179.487 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 61.3 mt -119.54 158.73 25.73 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 178.855 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.424 ' HA ' ' O ' ' A' ' 74' ' ' GLU . 36.7 mtp180 -125.56 129.52 49.86 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.745 0.307 . . . . 0.0 111.278 -179.5 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -103.37 100.3 10.17 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 178.838 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 65.37 22.99 12.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.669 -179.0 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 110.1 -20.83 25.69 Favored Glycine 0 C--N 1.333 0.363 0 C-N-CA 120.748 -0.739 . . . . 0.0 113.046 179.64 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.424 ' O ' ' HA ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -82.11 127.75 33.44 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.658 0.266 . . . . 0.0 111.007 -179.361 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.47 ' O ' ' N ' ' A' ' 77' ' ' GLY . 39.4 mmm-85 -73.93 60.14 0.73 Allowed 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -178.875 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.0 t 47.12 -78.38 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 113.419 0.896 . . . . 0.0 113.419 179.004 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 101.24 -2.11 54.4 Favored Glycine 0 CA--C 1.521 0.438 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.674 -178.961 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.432 ' HG2' ' N ' ' A' ' 79' ' ' ALA . 22.4 ttt85 -104.94 147.15 28.08 Favored 'General case' 0 CA--C 1.529 0.138 0 CA-C-O 120.684 0.278 . . . . 0.0 110.677 179.788 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.432 ' N ' ' HG2' ' A' ' 78' ' ' ARG . . . -57.91 163.95 2.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.704 -179.603 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -85.84 151.31 23.9 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.248 179.192 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -109.51 -135.46 7.25 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.447 -0.883 . . . . 0.0 114.024 -178.718 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -106.71 -3.43 20.55 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 112.208 0.448 . . . . 0.0 112.208 -178.514 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.442 ' HB2' ' CD ' ' A' ' 116' ' ' LYS . . . -87.38 166.96 14.45 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.018 0.437 . . . . 0.0 111.749 -179.301 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.3 p -132.91 155.22 49.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.362 179.457 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -84.88 146.74 27.13 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.277 -0.419 . . . . 0.0 109.883 179.083 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 86.5 p -154.89 -165.81 2.14 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.973 0.415 . . . . 0.0 111.173 -179.262 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 10.6 mtmm -79.13 -45.01 20.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.079 178.971 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.6 tmm_? -52.23 -39.13 59.87 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.57 -179.999 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.779 HG23 HG21 ' A' ' 119' ' ' ILE . 35.9 mt -70.29 -35.15 61.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.26 179.524 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -65.32 -40.66 94.0 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 178.879 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.57 -48.11 65.09 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.371 -0.832 . . . . 0.0 110.051 179.373 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 48.0 t -53.44 -46.09 69.71 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 178.956 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.456 HG23 HG22 ' A' ' 98' ' ' VAL . 97.3 mt -60.54 -52.72 58.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.187 179.111 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.4 m -51.08 -37.97 48.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.256 -179.829 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -74.39 -36.74 63.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.905 0.383 . . . . 0.0 109.968 179.724 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? -69.9 -31.72 69.67 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 178.34 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 6.7 mmtp 61.62 71.05 0.56 Allowed 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 115.496 -0.774 . . . . 0.0 109.471 -178.751 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.456 HG22 HG23 ' A' ' 93' ' ' ILE . 25.8 m -130.21 162.55 37.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.321 -179.108 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.84 64.43 7.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.42 -179.633 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.9 mt -138.15 108.46 4.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.997 0.427 . . . . 0.0 110.621 179.179 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -136.08 152.05 50.46 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.471 -179.941 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.47 130.68 35.64 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.128 0.489 . . . . 0.0 112.004 -179.263 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 51.0 t0 -79.4 134.98 36.57 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 177.74 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 16.1 mtmt -86.93 -0.02 55.84 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -179.186 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 24.1 p -84.07 -14.55 50.18 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.666 0.27 . . . . 0.0 110.811 179.188 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -77.36 -169.94 1.58 Allowed 'General case' 0 C--O 1.231 0.107 0 CA-C-O 120.951 0.405 . . . . 0.0 111.66 -179.591 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.25 -71.08 0.5 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.151 -179.553 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 27.8 p80 -59.57 162.12 5.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.658 -179.332 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 49.2 mt -125.06 67.39 1.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.301 179.475 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -137.9 107.15 6.07 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.39 179.96 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 27.2 pt -78.62 -180.0 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.924 179.834 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . 0.429 ' HB2' ' HD3' ' A' ' 78' ' ' ARG . 12.5 p -96.62 160.07 14.59 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.686 179.924 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.401 ' HB2' ' NH2' ' A' ' 78' ' ' ARG . 2.0 m-20 -56.58 -37.31 70.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.949 0.404 . . . . 0.0 110.512 179.552 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -53.14 -62.03 1.92 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.384 -179.593 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 25.1 m170 -65.8 -28.31 68.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.498 -179.363 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.442 ' CD ' ' HB2' ' A' ' 83' ' ' ALA . 10.0 ttpp -63.51 -54.07 42.11 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.015 0.436 . . . . 0.0 110.527 179.815 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.418 ' ND2' ' OG ' ' A' ' 121' ' ' SER . 3.1 t-20 -63.95 -45.97 86.79 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.743 179.942 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.454 HD23 ' O ' ' A' ' 118' ' ' LEU . 4.1 tt -56.05 -54.43 45.0 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.973 -179.026 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.779 HG21 HG23 ' A' ' 89' ' ' ILE . 64.5 mt -71.72 -42.37 70.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 -177.939 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -73.88 -36.91 64.84 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 -178.416 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.418 ' OG ' ' ND2' ' A' ' 117' ' ' ASN . 50.1 m . . . . . 0 C--N 1.329 -0.316 0 N-CA-C 115.01 1.485 . . . . 0.0 115.01 -175.81 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 . . . . . 0 N--CA 1.457 -0.114 0 CA-C-O 121.148 0.499 . . . . 0.0 111.537 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 65.0 mt -125.04 160.7 28.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.729 179.759 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.44 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 21.7 t -46.02 149.52 0.67 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.099 179.694 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 17.7 p -106.16 6.51 30.98 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 111.723 0.268 . . . . 0.0 111.723 179.82 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 85.4 mt -101.73 160.51 14.41 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 178.715 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.406 ' HD2' ' HB2' ' A' ' 103' ' ' ASP . 52.6 mtp180 -124.93 118.19 25.74 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.781 0.324 . . . . 0.0 111.211 -179.687 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -98.88 117.5 33.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.05 179.032 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 57.87 37.72 26.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.529 -179.13 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 80.36 -7.97 55.09 Favored Glycine 0 N--CA 1.451 -0.329 0 CA-C-N 115.872 -0.604 . . . . 0.0 113.197 179.691 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -99.24 132.99 44.17 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 117.248 0.524 . . . . 0.0 111.017 179.912 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.423 ' O ' ' N ' ' A' ' 77' ' ' GLY . 4.3 mmm180 -69.06 67.25 0.16 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.422 -0.808 . . . . 0.0 112.819 -178.174 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.44 ' HB3' ' HB3' ' A' ' 67' ' ' CYS . 12.3 t 37.43 -89.08 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 112.797 0.666 . . . . 0.0 112.797 178.1 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 124.05 -27.41 5.63 Favored Glycine 0 C--N 1.336 0.533 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.655 -179.52 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.465 ' HD3' ' HB2' ' A' ' 112' ' ' CYS . 44.9 ttt85 -77.73 148.53 34.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.656 0.265 . . . . 0.0 110.578 179.79 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.7 150.84 35.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.64 -179.621 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.91 157.1 37.3 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.079 179.252 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -109.66 -120.29 4.24 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.333 -0.937 . . . . 0.0 113.852 -178.838 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -124.49 -25.59 4.02 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -178.413 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -75.03 167.95 20.92 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.138 0.494 . . . . 0.0 111.951 -179.187 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.3 m -125.17 169.6 12.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.238 179.636 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -94.68 122.21 37.05 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.016 179.25 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 95.6 p -126.36 -162.42 1.14 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.733 -179.258 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.84 -44.52 18.31 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 178.752 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -51.49 -39.76 58.18 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.884 -179.091 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.6 HG23 HG21 ' A' ' 119' ' ' ILE . 54.1 mt -68.62 -35.35 69.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.001 0.429 . . . . 0.0 109.901 179.206 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -63.31 -48.29 78.68 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-O 121.777 0.799 . . . . 0.0 109.114 178.283 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.3 mmtp -61.32 -45.41 94.54 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 114.3 -1.318 . . . . 0.0 110.54 179.332 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 33.6 t -59.96 -41.15 91.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.044 179.078 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.519 HG23 HG22 ' A' ' 98' ' ' VAL . 87.2 mt -64.85 -45.53 94.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.912 178.917 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 20.0 t -52.5 -52.15 55.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.004 -179.937 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -59.2 -29.38 67.45 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.056 0.455 . . . . 0.0 110.016 179.723 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp -79.27 -38.56 35.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.946 178.813 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.48 77.48 0.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.276 -0.874 . . . . 0.0 109.628 -178.616 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.519 HG22 HG23 ' A' ' 93' ' ' ILE . 27.9 m -130.69 -178.78 2.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.558 -0.747 . . . . 0.0 111.264 -179.237 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -101.83 61.4 0.89 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.374 -179.51 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 67.8 mt -134.06 105.59 7.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.052 179.072 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -132.73 164.57 26.49 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.978 -179.797 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 13.3 tp -86.56 143.28 27.76 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.73 -179.459 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.406 ' HB2' ' HD2' ' A' ' 70' ' ' ARG . 23.5 t0 -95.38 150.63 20.06 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 177.87 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.88 2.27 56.63 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.114 0.412 . . . . 0.0 112.114 -179.263 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 6.7 m -82.16 -37.36 26.28 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.968 0.413 . . . . 0.0 110.726 179.684 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.95 131.74 43.37 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.622 -179.414 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.19 -37.78 15.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.37 179.941 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 19.2 p80 -80.06 157.3 26.75 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.98 0.419 . . . . 0.0 111.388 -179.457 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 83.8 mt -121.97 83.07 2.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.087 178.96 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -147.99 117.89 7.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.298 -179.831 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 30.8 pt -96.02 162.53 2.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.841 179.873 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . 0.465 ' HB2' ' HD3' ' A' ' 78' ' ' ARG . 8.2 p -75.02 171.3 14.34 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.595 179.689 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -72.93 -28.79 62.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.01 0.433 . . . . 0.0 110.68 179.882 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -59.52 -61.72 2.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.452 -179.627 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 22.4 m170 -64.01 -36.32 83.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.662 -179.311 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.66 -53.79 54.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.982 0.42 . . . . 0.0 110.817 179.948 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -65.64 -37.99 88.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.267 -179.428 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.46 HD23 ' O ' ' A' ' 118' ' ' LEU . 4.5 tt -62.44 -50.01 73.16 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.598 -179.5 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.6 HG21 HG23 ' A' ' 89' ' ' ILE . 75.7 mt -74.19 -45.47 47.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -178.079 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.86 -40.14 95.86 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 -178.252 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.8 t . . . . . 0 C--N 1.327 -0.383 0 N-CA-C 114.379 1.252 . . . . 0.0 114.379 -175.961 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 . . . . . 0 N--CA 1.454 -0.23 0 CA-C-O 121.072 0.463 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 82.2 mt -139.41 148.97 43.52 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.36 179.349 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.4 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 44.5 t -49.75 150.94 1.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.829 179.85 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 71.8 m -117.13 27.24 9.24 Favored 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -178.915 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 75.7 mt -114.12 163.35 15.31 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 178.695 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.417 ' HA ' ' O ' ' A' ' 74' ' ' GLU . 37.2 mtp180 -124.68 123.2 39.51 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.405 -179.577 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.404 ' O ' ' HB2' ' A' ' 72' ' ' ASP . 30.3 tt0 -104.33 92.66 4.43 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 178.651 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.404 ' HB2' ' O ' ' A' ' 71' ' ' GLU . 8.6 m-20 66.88 43.39 2.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.757 -178.89 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 90.35 -19.61 42.49 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.928 -0.653 . . . . 0.0 113.099 179.352 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.417 ' O ' ' HA ' ' A' ' 70' ' ' ARG . 1.9 mm-40 -83.84 129.34 34.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.812 0.306 . . . . 0.0 111.368 -179.476 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 77' ' ' GLY . 1.8 tmm_? -81.93 59.64 4.41 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.45 -179.182 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.4 ' HB3' ' HB3' ' A' ' 67' ' ' CYS . 11.8 t 40.03 -84.23 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 113.221 0.823 . . . . 0.0 113.221 179.004 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 110.23 -23.96 19.51 Favored Glycine 0 C--N 1.333 0.4 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.168 -179.292 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 28.7 ttt85 -76.58 146.65 38.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.674 0.273 . . . . 0.0 110.341 179.726 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.84 157.48 21.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.652 -179.545 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.2 151.93 39.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.08 179.139 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -109.96 -135.58 7.16 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.358 -0.925 . . . . 0.0 113.885 -178.84 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -104.28 -10.27 17.97 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -178.812 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -83.43 170.21 14.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.072 0.463 . . . . 0.0 111.641 -179.462 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.0 p -139.15 140.08 37.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.6 179.605 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -63.61 125.3 23.82 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 179.088 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 93.1 p -129.64 -167.45 1.8 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.958 0.409 . . . . 0.0 111.316 -178.958 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -78.85 -41.19 30.61 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.587 179.609 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.58 -43.64 72.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.45 179.344 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 34.8 mt -65.75 -38.81 83.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.084 179.422 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.68 -51.83 65.66 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-O 121.636 0.731 . . . . 0.0 109.271 178.667 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -55.56 -40.35 71.82 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 114.667 -1.151 . . . . 0.0 109.928 178.941 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 14.9 t -61.17 -51.93 66.96 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.952 178.793 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.404 ' HA ' ' HD3' ' A' ' 96' ' ' LYS . 89.4 mt -53.0 -53.43 21.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.342 179.204 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 52.2 m -52.89 -40.36 63.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.055 -179.765 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -75.65 -18.34 59.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.884 0.374 . . . . 0.0 110.546 179.168 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.404 ' HD3' ' HA ' ' A' ' 93' ' ' ILE . 20.1 mtpp -84.92 -40.18 17.31 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-O 121.235 0.541 . . . . 0.0 110.099 178.711 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 7.2 tptt 71.66 72.46 0.17 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.417 -0.81 . . . . 0.0 109.336 -178.602 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 15.7 m -135.44 172.78 15.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.392 -179.1 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -93.46 63.69 3.54 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.388 -179.727 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 72.8 mt -129.33 117.97 44.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.525 179.372 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -133.78 159.84 39.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.452 179.595 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -77.8 123.84 27.22 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.063 0.459 . . . . 0.0 111.754 -179.526 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -77.04 111.57 12.75 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 178.134 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.29 -4.64 48.92 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.303 0.482 . . . . 0.0 112.303 -178.626 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 60.8 p -81.75 -3.68 54.41 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 121.164 -0.214 . . . . 0.0 111.552 179.88 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -72.92 -159.88 0.07 Allowed 'General case' 0 C--O 1.232 0.134 0 CA-C-O 120.918 0.39 . . . . 0.0 111.193 -179.798 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 15.0 mtp180 -138.78 4.44 2.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.362 178.973 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -163.02 -179.51 6.78 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 121.067 0.461 . . . . 0.0 111.434 -178.741 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 33.5 mt -118.54 81.9 1.76 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.802 178.312 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -141.96 120.52 12.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.573 179.852 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 43.4 pt -100.83 168.89 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.95 179.842 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 23.6 p -86.62 174.6 8.79 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.493 179.531 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -73.9 -28.71 61.68 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.468 179.605 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -58.96 -61.99 2.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.634 -179.408 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 22.2 m80 -66.23 -26.15 67.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.69 -179.314 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.85 -54.11 25.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.046 0.45 . . . . 0.0 110.658 179.801 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 32.9 t30 -69.86 -28.71 65.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.066 -179.748 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.566 HD23 ' O ' ' A' ' 118' ' ' LEU . 4.3 tt -72.9 -48.75 34.5 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.777 -179.089 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 67.8 mt -79.1 -41.97 23.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 113.275 0.843 . . . . 0.0 113.275 -177.952 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -62.65 -36.39 82.68 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 -178.238 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.327 -0.387 0 N-CA-C 114.841 1.422 . . . . 0.0 114.841 -175.653 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 121.108 0.48 . . . . 0.0 112.093 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 51.2 mt -116.52 152.13 34.73 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.201 179.069 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.432 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 41.4 t -47.23 154.75 0.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.13 -179.919 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.552 ' SG ' ' HB1' ' A' ' 106' ' ' ALA . 61.7 m -122.2 35.0 4.99 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 112.762 0.653 . . . . 0.0 112.762 -178.486 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 93.1 mt -121.62 165.76 15.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.862 0.363 . . . . 0.0 110.621 178.311 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.473 ' HG2' ' HD2' ' A' ' 75' ' ' ARG . 34.5 mtp180 -130.84 115.84 17.13 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.087 -179.953 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -101.19 108.08 19.65 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 178.99 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 55.32 27.07 9.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.747 -179.139 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 102.53 -4.99 51.19 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.806 -0.711 . . . . 0.0 113.4 179.314 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -92.79 123.46 36.08 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 117.219 0.509 . . . . 0.0 111.773 -179.555 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.473 ' HD2' ' HG2' ' A' ' 70' ' ' ARG . 5.8 mmm-85 -80.31 58.57 3.13 Favored 'General case' 0 C--O 1.227 -0.087 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.747 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.432 ' HB3' ' HB3' ' A' ' 67' ' ' CYS . 10.2 t 31.5 -85.87 0.0 OUTLIER 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 179.638 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 109.16 -21.16 27.4 Favored Glycine 0 C--N 1.336 0.544 0 C-N-CA 120.531 -0.842 . . . . 0.0 112.534 -179.613 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 35.3 ttt85 -71.92 147.66 46.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.842 0.353 . . . . 0.0 110.56 179.779 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.73 147.8 36.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.759 -179.426 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.98 150.42 45.68 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.119 179.05 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -109.96 -131.97 6.24 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.371 -0.918 . . . . 0.0 114.002 -178.632 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -115.97 18.09 15.67 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.605 -0.298 . . . . 0.0 111.773 -178.405 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -111.87 164.34 13.2 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.068 0.461 . . . . 0.0 111.775 -179.417 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 17.5 p -129.34 157.58 41.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.46 179.467 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -84.47 111.48 19.52 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.695 179.192 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 53.6 p -113.69 -171.52 1.91 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.055 0.455 . . . . 0.0 111.614 -178.641 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.43 -42.36 36.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.12 178.974 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.59 -41.23 61.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.122 179.545 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.636 HG23 HG21 ' A' ' 119' ' ' ILE . 76.1 mt -71.43 -38.43 68.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.212 179.436 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.96 -42.2 93.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.319 0.581 . . . . 0.0 109.654 178.902 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.04 -54.43 11.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.155 179.594 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 19.9 t -51.26 -31.47 21.16 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.07 0.462 . . . . 0.0 109.924 179.129 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.483 HG23 ' CG2' ' A' ' 98' ' ' VAL . 52.5 mt -73.6 -55.06 13.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.646 -0.707 . . . . 0.0 109.977 178.799 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.5 t -51.43 -30.46 19.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.151 -179.463 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -83.72 -33.11 25.18 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.91 0.386 . . . . 0.0 109.964 179.52 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 12.0 mtpp -62.52 -25.58 68.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.16 178.511 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.88 63.37 0.39 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.539 -178.82 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.483 ' CG2' HG23 ' A' ' 93' ' ' ILE . 25.6 m -132.65 160.39 42.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.039 -179.401 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 5.6 mttm -95.64 69.52 2.97 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.552 -179.588 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 37.1 mt -126.5 108.29 18.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.363 179.146 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -120.93 166.79 13.32 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.604 179.774 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.686 HD12 ' H ' ' A' ' 103' ' ' ASP . 23.4 tp -89.91 143.47 26.76 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.211 0.529 . . . . 0.0 111.736 -179.605 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.686 ' H ' HD12 ' A' ' 102' ' ' LEU . 32.5 t70 -101.6 136.49 41.35 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 178.109 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 8.7 mmtp -92.75 -21.42 19.95 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -178.707 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 98.4 p -90.03 23.13 2.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.631 0.253 . . . . 0.0 111.087 179.953 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.552 ' HB1' ' SG ' ' A' ' 68' ' ' CYS . . . -77.13 -90.06 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -178.816 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.437 ' HB3' ' CD2' ' A' ' 108' ' ' HIS . 4.2 ttm180 174.21 -27.75 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.802 -177.228 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . 0.437 ' CD2' ' HB3' ' A' ' 107' ' ' ARG . 11.2 p80 -169.53 -169.04 0.86 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.446 -179.591 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 24.0 mt -118.14 70.2 0.8 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.115 0.483 . . . . 0.0 109.965 178.573 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.41 ' HB2' ' CE1' ' A' ' 108' ' ' HIS . 53.9 m-85 -135.95 122.93 21.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.23 -179.644 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 34.4 pt -105.32 161.33 5.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.948 -179.877 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 7.9 p -75.24 171.57 13.95 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.467 179.568 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -70.31 -36.09 74.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.065 0.46 . . . . 0.0 110.476 179.725 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -48.77 -61.63 1.94 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.3 179.989 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 21.3 m170 -62.55 -28.64 70.0 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.748 -179.087 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 16.6 ttpp -64.3 -53.29 51.27 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.986 0.422 . . . . 0.0 110.653 179.68 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -67.07 -34.13 77.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.187 -179.676 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.543 ' C ' HD23 ' A' ' 118' ' ' LEU . 7.0 tt -67.62 -50.2 59.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.064 -0.516 . . . . 0.0 112.03 -179.115 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.636 HG21 HG23 ' A' ' 89' ' ' ILE . 64.3 mt -74.05 -47.73 40.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 113.145 0.795 . . . . 0.0 113.145 -178.082 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -59.09 -42.2 89.91 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 -178.35 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 49.5 m . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 -175.861 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 . . . . . 0 CA--C 1.521 -0.138 0 CA-C-O 121.012 0.434 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -108.48 141.05 40.92 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.28 0.562 . . . . 0.0 111.512 179.921 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 42.4 t -44.11 143.76 1.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.386 -179.811 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 28.4 p -101.04 24.18 9.73 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.319 -179.94 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.436 HD12 ' ND1' ' A' ' 115' ' ' HIS . 88.6 mt -110.98 150.15 29.67 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 178.851 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.417 ' HA ' ' O ' ' A' ' 74' ' ' GLU . 9.3 mtp180 -119.77 111.9 18.57 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.842 0.353 . . . . 0.0 111.354 -179.393 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -94.93 103.21 15.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.259 179.334 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 69.25 46.63 0.77 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.868 -179.543 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 74.15 -4.62 31.23 Favored Glycine 0 CA--C 1.521 0.421 0 C-N-CA 120.907 -0.663 . . . . 0.0 113.358 179.671 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.417 ' O ' ' HA ' ' A' ' 70' ' ' ARG . 25.8 mm-40 -101.35 135.34 43.0 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 117.247 0.524 . . . . 0.0 110.807 -179.53 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.478 ' O ' ' N ' ' A' ' 77' ' ' GLY . 10.9 tpp85 -69.85 61.89 0.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.33 -178.405 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 6.9 t 48.87 -79.32 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 178.45 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 114.04 -24.22 11.98 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 120.676 -0.773 . . . . 0.0 111.963 -179.196 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 46.9 ttt85 -89.03 147.54 24.21 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 179.297 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -77.93 146.96 35.23 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.919 0.39 . . . . 0.0 111.528 -178.911 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.28 154.37 8.2 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.726 179.69 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -130.51 -132.03 3.38 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.161 -1.019 . . . . 0.0 114.049 -178.976 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -101.47 64.63 1.01 Allowed 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 111.925 0.342 . . . . 0.0 111.925 -178.348 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -163.48 179.67 7.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.975 0.417 . . . . 0.0 111.447 179.872 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 33.8 p -145.94 177.26 9.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.566 179.782 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -106.3 124.06 49.0 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.592 179.042 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 64.5 p -127.46 -169.33 2.03 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.982 0.42 . . . . 0.0 111.635 -178.479 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.411 ' H ' ' HG2' ' A' ' 87' ' ' LYS . 2.9 mmtm -76.32 -44.04 38.59 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.858 179.065 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.5 tmm_? -52.1 -37.88 55.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.684 -179.682 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.454 HG23 HD13 ' A' ' 119' ' ' ILE . 25.3 mt -69.43 -38.08 76.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.218 179.524 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -63.1 -44.53 95.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.192 0.52 . . . . 0.0 109.717 178.849 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -65.63 -47.55 75.23 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.78 179.254 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 35.5 t -54.06 -48.37 70.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.928 179.247 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 95.6 mt -64.42 -40.26 88.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.965 178.923 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 19.1 t -53.51 -53.97 43.92 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.972 179.941 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -57.71 -38.31 75.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.998 0.427 . . . . 0.0 110.043 179.81 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.6 mttm -67.17 -42.89 83.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.828 178.695 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 62.02 75.87 0.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.262 -0.881 . . . . 0.0 109.476 -178.574 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 20.3 m -127.82 -179.47 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.078 -179.245 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 7.2 mttp -91.15 55.95 3.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.951 0.405 . . . . 0.0 111.333 -179.737 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 62.9 mt -129.53 124.36 59.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.179 179.035 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -148.0 168.48 22.2 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.618 -179.545 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 34.2 tp -84.72 140.83 31.0 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.372 0.606 . . . . 0.0 111.332 179.697 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -79.6 144.34 33.92 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 177.752 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm -93.95 -29.88 15.03 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.623 -0.431 . . . . 0.0 111.428 -179.42 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 51.8 m -62.37 -36.23 81.63 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.161 179.993 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.5 153.72 38.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.878 -179.241 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.3 -76.5 0.53 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.308 -179.976 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -53.86 176.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.547 -179.157 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 89.1 mt -133.22 82.36 1.99 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.417 -0.811 . . . . 0.0 109.769 178.916 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -139.63 126.23 20.49 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.809 -179.138 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 28.5 pt -104.89 177.99 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.95 -179.802 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 7.8 p -93.14 165.2 12.94 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.369 179.515 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -64.31 -29.53 70.61 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.15 0.5 . . . . 0.0 110.259 179.744 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -56.73 -59.54 4.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.317 179.859 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . 0.436 ' ND1' HD12 ' A' ' 69' ' ' LEU . 15.9 m170 -66.23 -36.41 82.97 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.695 -179.425 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 12.1 ttpp -58.04 -53.03 62.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.146 0.498 . . . . 0.0 110.592 179.714 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 45.7 t30 -68.15 -35.38 77.98 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.219 -179.42 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.567 HD23 ' O ' ' A' ' 118' ' ' LEU . 2.1 tt -65.7 -41.99 91.72 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.631 -179.341 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.454 HD13 HG23 ' A' ' 89' ' ' ILE . 75.4 mt -86.14 -35.83 9.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 -177.99 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -73.35 -32.19 64.39 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 113.523 0.934 . . . . 0.0 113.523 -178.165 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.6 m . . . . . 0 C--N 1.329 -0.284 0 N-CA-C 114.488 1.292 . . . . 0.0 114.488 -176.577 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.52 -0.206 0 CA-C-O 121.023 0.439 . . . . 0.0 111.311 . . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -115.75 155.28 28.07 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.025 -179.812 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 29.6 t -46.13 152.54 0.39 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.487 -179.813 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 25.1 p -114.18 18.64 16.95 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.377 179.796 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 72.2 mt -111.59 156.25 22.07 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 178.994 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.412 ' O ' ' HA ' ' A' ' 100' ' ' ILE . 37.0 mtt180 -120.02 128.97 54.02 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.774 0.321 . . . . 0.0 111.343 -179.42 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -109.41 107.92 18.26 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 178.762 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 59.48 36.13 22.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.724 -179.274 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 88.45 -15.09 57.88 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.81 -0.71 . . . . 0.0 113.097 179.639 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -89.64 135.86 33.37 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.044 0.449 . . . . 0.0 111.244 -179.64 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 6.9 tpp85 -77.3 67.53 3.26 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.556 -178.431 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 11.0 t 37.01 -101.5 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 178.357 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 138.34 -29.59 2.59 Favored Glycine 0 C--N 1.336 0.577 0 C-N-CA 120.425 -0.893 . . . . 0.0 112.234 -179.52 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 44.6 ttt180 -80.01 136.98 36.72 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 179.076 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.95 159.42 11.45 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.968 0.413 . . . . 0.0 111.57 -178.924 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.55 167.94 10.03 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.713 -179.443 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -132.51 -137.08 3.89 Favored Glycine 0 C--N 1.334 0.423 0 C-N-CA 120.539 -0.839 . . . . 0.0 113.804 -179.196 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -107.27 4.97 27.15 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 112.284 0.476 . . . . 0.0 112.284 -178.449 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.6 ' HB2' ' HD3' ' A' ' 116' ' ' LYS . . . -93.84 177.27 6.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.17 0.51 . . . . 0.0 111.595 -179.375 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 36.0 p -142.81 155.94 44.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.496 179.639 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -82.22 124.24 29.74 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 179.116 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 64.5 p -129.39 -175.92 3.73 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.12 0.486 . . . . 0.0 111.722 -179.052 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 16.7 ptmt -75.03 -38.69 61.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.013 179.17 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.55 -46.05 77.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.95 179.05 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.884 HG23 HG21 ' A' ' 119' ' ' ILE . 19.7 mt -60.8 -43.33 95.16 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 178.685 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -55.19 -49.12 72.71 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.009 -0.542 . . . . 0.0 109.826 178.885 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -57.06 -47.24 81.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.93 179.511 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.412 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 3.3 m -53.56 -52.95 58.1 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.178 -0.464 . . . . 0.0 109.806 178.944 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 66.3 mt -53.1 -55.34 12.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.257 179.066 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 40.6 t -49.58 -45.22 47.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.052 -179.941 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -61.3 -42.31 98.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.05 179.591 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.412 ' HG3' ' O ' ' A' ' 92' ' ' SER . 3.4 mtpm? -71.16 -31.54 67.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.982 178.923 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 6.7 tptm 58.12 71.42 0.58 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.429 -178.515 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 29.2 m -127.81 169.85 18.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.257 -179.218 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -86.05 71.76 10.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.473 -179.713 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.412 ' HA ' ' O ' ' A' ' 70' ' ' ARG . 40.0 mt -142.15 104.07 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.463 179.339 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.2 pm0 -121.63 178.5 4.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.621 179.761 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.483 ' HG ' ' N ' ' A' ' 103' ' ' ASP . 0.6 OUTLIER -93.57 142.8 26.94 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.259 0.552 . . . . 0.0 112.198 -179.196 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.483 ' N ' ' HG ' ' A' ' 102' ' ' LEU . 11.3 t70 -82.48 129.6 34.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.391 -0.822 . . . . 0.0 108.889 177.559 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.423 ' HB2' ' HE3' ' A' ' 104' ' ' LYS . 43.3 mtmt -90.05 -16.1 30.43 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 121.014 -0.274 . . . . 0.0 111.734 -179.63 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.2 p -87.2 18.21 3.83 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.567 0.223 . . . . 0.0 111.007 179.576 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -88.21 175.15 7.82 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-O 121.288 0.566 . . . . 0.0 111.483 -179.736 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -131.12 1.85 4.26 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.298 -0.864 . . . . 0.0 111.306 179.557 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 29.7 p80 -149.96 164.35 35.69 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 120.868 0.366 . . . . 0.0 110.744 -179.466 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 93.8 mt -120.33 72.66 0.96 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.052 179.217 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -137.97 112.03 8.47 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.421 -179.927 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 32.7 pt -87.8 173.1 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.951 179.956 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 8.4 p -89.81 165.15 14.31 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.625 179.652 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.16 -38.9 88.11 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.09 0.471 . . . . 0.0 110.356 179.746 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.433 ' O ' ' HB2' ' A' ' 118' ' ' LEU . 85.6 t80 -49.68 -62.63 1.45 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.276 -179.755 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 13.7 m170 -64.57 -26.65 68.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.773 -179.062 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.6 ' HD3' ' HB2' ' A' ' 83' ' ' ALA . 13.4 ttpp -66.49 -54.66 21.43 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.863 -179.982 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -71.28 -27.47 63.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.127 -179.283 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.433 ' HB2' ' O ' ' A' ' 114' ' ' TYR . 3.1 tt -74.05 -43.44 57.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.692 -179.15 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.884 HG21 HG23 ' A' ' 89' ' ' ILE . 77.2 mt -84.35 -36.94 12.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 -178.075 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.429 ' HB2' ' O ' ' A' ' 116' ' ' LYS . 18.9 mt-30 -66.67 -34.3 77.56 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 -178.74 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 57.8 m . . . . . 0 C--N 1.326 -0.439 0 N-CA-C 114.741 1.385 . . . . 0.0 114.741 -175.927 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.108 0 CA-C-O 121.046 0.45 . . . . 0.0 111.28 . . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 79' ' ' ALA . 85.9 mt -131.61 145.56 51.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.6 179.666 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.453 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 36.8 t -48.69 139.13 9.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.808 179.735 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.49 ' HA ' ' NH1' ' A' ' 75' ' ' ARG . 52.8 m -109.41 31.93 5.39 Favored 'General case' 0 N--CA 1.462 0.127 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -178.715 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 94.2 mt -111.97 155.63 23.42 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 178.694 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.413 ' HA ' ' O ' ' A' ' 74' ' ' GLU . 11.8 mtp180 -123.95 108.27 12.23 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.773 0.321 . . . . 0.0 111.439 -179.761 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.423 ' O ' ' HB2' ' A' ' 74' ' ' GLU . 34.5 tt0 -99.87 113.19 25.56 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.156 179.164 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 52.04 46.08 27.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.016 0.436 . . . . 0.0 110.739 -179.353 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 78.99 0.47 82.34 Favored Glycine 0 CA--C 1.519 0.305 0 C-N-CA 120.881 -0.676 . . . . 0.0 113.346 179.396 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.423 ' HB2' ' O ' ' A' ' 71' ' ' GLU . 17.7 mm-40 -101.01 124.82 47.32 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 117.286 0.543 . . . . 0.0 111.509 -179.955 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.583 ' O ' ' N ' ' A' ' 77' ' ' GLY . 2.4 mmm180 -85.53 55.33 3.46 Favored 'General case' 0 C--O 1.223 -0.336 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.914 -179.914 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.453 ' HB3' ' HB3' ' A' ' 67' ' ' CYS . 0.5 OUTLIER 39.23 -73.27 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 179.923 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.583 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 96.81 -24.46 30.92 Favored Glycine 0 N--CA 1.449 -0.46 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 -179.144 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 37.7 ttt180 -69.96 143.63 52.59 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.424 -0.388 . . . . 0.0 110.553 179.433 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.433 ' HA ' HD23 ' A' ' 66' ' ' LEU . . . -62.15 148.63 43.87 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.623 -179.613 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.86 154.37 41.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.639 178.789 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -131.68 -151.86 7.02 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 119.816 -1.183 . . . . 0.0 113.936 -178.831 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -85.25 60.26 6.13 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.06 -0.57 . . . . 0.0 111.282 -178.792 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.835 ' HB2' ' HD3' ' A' ' 116' ' ' LYS . . . -151.67 164.97 35.79 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.209 179.938 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.3 m -140.2 165.58 27.0 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.318 179.866 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -96.82 94.67 7.39 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 178.853 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 64.0 p -100.05 -170.38 1.87 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.141 -179.27 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.26 -43.46 33.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.461 178.688 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -51.45 -36.7 45.18 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 120.99 0.424 . . . . 0.0 110.029 179.981 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.812 HG23 HG21 ' A' ' 119' ' ' ILE . 26.2 mt -69.68 -43.29 80.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.696 178.788 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -58.45 -37.64 75.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.98 179.095 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.52 -46.0 64.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.851 179.322 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.462 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 8.2 t -54.94 -37.95 67.1 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.563 179.014 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 79.7 mt -73.63 -41.94 55.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.523 179.079 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.21 -36.17 72.72 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.261 -179.863 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -77.63 -25.86 50.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.815 0.341 . . . . 0.0 110.436 179.778 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.462 ' HG3' ' O ' ' A' ' 92' ' ' SER . 1.4 mtpp -81.94 -49.72 9.97 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.263 178.806 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.417 ' HB2' ' O ' ' A' ' 96' ' ' LYS . 49.4 mmtt 70.46 72.72 0.21 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.372 -178.012 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 16.0 m -122.51 174.02 7.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.507 -0.769 . . . . 0.0 111.53 -179.154 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 5.8 mttm -83.85 57.08 3.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.674 -179.6 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 79.4 mt -121.32 135.83 60.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.318 179.236 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -154.59 179.92 8.59 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.643 179.465 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 5.1 tp -110.48 135.44 51.16 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.158 0.504 . . . . 0.0 111.705 -179.714 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -83.66 144.39 29.44 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 177.969 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 3.8 mmmp? -96.71 -6.57 36.08 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -178.645 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 21.5 p -82.73 3.45 29.19 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 121.124 -0.23 . . . . 0.0 111.104 179.301 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -74.61 -158.91 0.08 Allowed 'General case' 0 N--CA 1.456 -0.15 0 CA-C-O 120.994 0.426 . . . . 0.0 111.548 -179.292 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -159.36 21.93 0.19 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.362 179.355 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 16.0 p80 -174.74 175.74 2.38 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 120.977 0.417 . . . . 0.0 110.871 -178.405 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 54.2 mt -126.63 66.05 1.25 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.162 179.31 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 55.7 m-85 -128.83 100.33 5.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.328 179.877 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 36.9 pt -81.74 173.44 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.938 179.864 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 20.9 p -84.97 176.0 8.72 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.585 179.616 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -73.03 -37.53 66.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.972 0.415 . . . . 0.0 110.441 179.421 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -48.42 -57.86 5.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.193 -179.99 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 15.2 m80 -66.89 -37.12 83.8 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -179.294 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.835 ' HD3' ' HB2' ' A' ' 83' ' ' ALA . 13.7 ttpp -56.01 -52.64 63.5 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.962 0.411 . . . . 0.0 110.271 179.672 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -65.11 -45.99 82.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.846 179.805 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.644 HD23 ' O ' ' A' ' 118' ' ' LEU . 3.3 tt -56.53 -44.82 81.19 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.946 -179.125 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.812 HG21 HG23 ' A' ' 89' ' ' ILE . 77.5 mt -79.16 -49.78 19.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 -177.932 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -64.08 -19.75 65.46 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 -178.405 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 8.4 t . . . . . 0 C--N 1.328 -0.335 0 N-CA-C 114.429 1.27 . . . . 0.0 114.429 -176.537 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.92 0.391 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.485 ' HA ' ' HA ' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -136.36 168.86 18.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.19 -0.459 . . . . 0.0 112.081 179.893 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 48.3 t -79.09 145.72 33.63 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.934 -179.624 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 28.3 p -109.81 30.3 6.81 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -179.157 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.491 HD12 ' CG ' ' A' ' 115' ' ' HIS . 55.3 mt -109.86 159.53 17.15 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 177.8 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.401 ' HA ' ' O ' ' A' ' 74' ' ' GLU . 27.8 mtm180 -122.06 113.91 20.2 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.499 -0.318 . . . . 0.0 111.281 -179.747 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -105.27 103.2 12.69 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 178.864 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 64.97 48.66 2.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.559 -179.244 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 71.54 3.11 53.06 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.857 -0.687 . . . . 0.0 113.253 179.745 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.401 ' O ' ' HA ' ' A' ' 70' ' ' ARG . 5.7 mm-40 -105.14 134.35 48.38 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 117.16 0.48 . . . . 0.0 111.396 -179.838 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.47 ' O ' ' N ' ' A' ' 77' ' ' GLY . 0.0 OUTLIER -77.38 60.02 1.95 Allowed 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.34 -179.378 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 5.7 t 44.14 -80.93 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 178.948 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 108.16 -26.89 15.57 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.578 -0.82 . . . . 0.0 111.695 -178.896 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 30.3 ttt85 -78.63 134.37 37.17 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 179.152 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.485 ' HA ' ' HA ' ' A' ' 66' ' ' LEU . . . -56.34 158.91 3.89 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.873 0.368 . . . . 0.0 111.888 -178.75 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.41 160.94 31.02 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.138 -179.884 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -122.32 -126.27 3.19 Favored Glycine 0 C--N 1.333 0.363 0 C-N-CA 120.344 -0.931 . . . . 0.0 114.083 -178.943 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -107.5 -36.11 6.56 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -178.11 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.77 154.85 35.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.033 0.444 . . . . 0.0 111.659 -179.353 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 28.8 p -122.36 167.72 12.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.508 179.449 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -90.15 110.23 21.26 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.758 179.144 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 59.8 p -118.42 -158.15 0.71 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.336 -178.809 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.41 ' O ' ' HB3' ' A' ' 90' ' ' GLN . 1.4 mttp -79.89 -51.51 9.03 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-O 121.371 0.605 . . . . 0.0 111.524 179.362 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -51.81 -43.43 63.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.103 -179.056 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 9.8 mt -64.56 -36.69 78.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 C-N-CA 120.662 -0.415 . . . . 0.0 109.95 179.128 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.41 ' HB3' ' O ' ' A' ' 87' ' ' LYS . 0.9 OUTLIER -64.48 -52.71 56.53 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-O 121.555 0.693 . . . . 0.0 109.27 178.785 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.404 ' HG2' ' OE1' ' A' ' 90' ' ' GLN . 1.1 mmmp? -55.6 -42.84 75.42 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 114.599 -1.182 . . . . 0.0 110.121 179.064 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.432 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 3.2 m -58.77 -50.95 72.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.723 178.595 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 85.4 mt -61.5 -31.37 50.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.396 179.262 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.414 ' O ' ' HG2' ' A' ' 97' ' ' LYS . 2.6 t -62.98 -49.5 74.45 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.36 -179.958 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -68.5 -30.81 69.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.034 0.445 . . . . 0.0 110.196 179.793 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' A' ' 92' ' ' SER . 15.1 mtpp -72.81 -39.18 66.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.613 179.45 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.414 ' HG2' ' O ' ' A' ' 94' ' ' SER . 9.1 mmtp 57.95 70.49 0.65 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.809 -178.844 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 15.4 m -124.81 159.24 31.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.048 -179.36 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 3.6 mttp -72.46 59.57 0.44 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.856 0.36 . . . . 0.0 111.233 -179.895 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 53.6 mt -138.1 109.48 5.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.968 179.599 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -139.07 166.34 24.76 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.338 179.714 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -80.61 143.28 33.26 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.935 -179.199 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -99.47 117.52 34.06 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 178.089 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 20.6 mtmm -75.72 -19.2 59.26 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 111.746 0.276 . . . . 0.0 111.746 -178.768 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 57.5 p -83.6 7.81 16.16 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 121.228 -0.189 . . . . 0.0 111.33 179.679 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.406 ' O ' ' HB2' ' A' ' 107' ' ' ARG . . . -75.43 -99.85 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 111.63 0.233 . . . . 0.0 111.63 -179.476 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.406 ' HB2' ' O ' ' A' ' 106' ' ' ALA . 35.1 ttt-85 176.08 -63.36 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.179 0 CA-C-O 121.217 0.532 . . . . 0.0 110.616 -178.804 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 27.2 p80 -115.54 -155.34 0.57 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.659 -179.078 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 67.7 mt -126.48 -118.76 0.26 Allowed 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 178.651 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 55.73 97.82 0.02 OUTLIER 'General case' 0 C--N 1.34 0.192 0 CA-C-O 120.985 0.421 . . . . 0.0 111.727 179.35 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 28.6 pt -88.01 155.68 3.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.408 179.35 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 16.1 p -74.18 164.09 27.04 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.73 179.818 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -64.37 -32.98 74.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.102 0.477 . . . . 0.0 110.229 179.566 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -52.59 -56.48 15.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.296 179.937 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . 0.491 ' CG ' HD12 ' A' ' 69' ' ' LEU . 14.7 m80 -68.96 -38.77 79.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.663 -179.383 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 16.1 ttpp -52.76 -52.54 56.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.103 0.478 . . . . 0.0 110.56 179.753 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -68.95 -45.15 71.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.356 -179.466 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.535 HD23 ' O ' ' A' ' 118' ' ' LEU . 5.8 tt -55.74 -35.93 66.7 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.719 -179.43 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 87.5 mt -92.56 -39.92 11.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 113.21 0.818 . . . . 0.0 113.21 -177.971 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -73.02 -41.85 63.81 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 -177.937 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--N 1.325 -0.459 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 -175.014 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.426 HE21 ' HB3' ' A' ' 80' ' ' ALA . 3.0 mt-30 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 121.068 0.461 . . . . 0.0 111.639 . . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 42.9 mt -135.73 137.5 41.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.717 179.968 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.401 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 44.3 t -40.69 147.01 0.13 Allowed 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.357 179.665 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 21.8 m -110.48 30.21 7.0 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -179.085 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 74.0 mt -113.55 141.38 47.23 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 178.342 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.44 ' NH2' ' HA2' ' A' ' 73' ' ' GLY . 55.9 mtp180 -109.61 114.29 27.78 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.943 0.402 . . . . 0.0 111.649 -179.21 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -96.69 104.64 16.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.911 179.155 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 57.0 42.28 26.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.032 0.444 . . . . 0.0 110.511 -179.468 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.44 ' HA2' ' NH2' ' A' ' 70' ' ' ARG . . . 84.15 0.96 89.67 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.772 -0.728 . . . . 0.0 113.129 179.921 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -104.15 123.87 48.06 Favored 'General case' 0 CA--C 1.521 -0.14 0 CA-C-N 117.121 0.46 . . . . 0.0 111.273 179.95 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' A' ' 77' ' ' GLY . 1.8 mmm-85 -75.16 60.49 1.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.471 -179.139 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.401 ' HB3' ' HB3' ' A' ' 67' ' ' CYS . 18.7 t 39.81 -82.37 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 179.008 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 115.31 -31.34 6.26 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.803 -0.713 . . . . 0.0 111.723 -179.383 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.415 ' HD3' ' HB2' ' A' ' 112' ' ' CYS . 11.8 ttt85 -67.14 144.24 56.16 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 179.645 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.41 160.96 7.96 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.778 0.323 . . . . 0.0 111.154 -179.863 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.426 ' HB3' HE21 ' A' ' 65' ' ' GLN . . . -79.53 145.14 33.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 109.989 178.971 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -104.32 -137.01 9.05 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.442 -0.885 . . . . 0.0 114.032 -178.442 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -110.34 2.81 19.31 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -178.354 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.444 ' HB2' ' CD ' ' A' ' 116' ' ' LYS . . . -88.66 168.88 12.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.032 0.444 . . . . 0.0 111.69 -179.486 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.3 m -129.37 162.15 28.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.369 179.702 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -98.15 117.38 32.39 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 178.942 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 68.0 p -122.99 -164.46 1.2 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.252 -179.11 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.49 ' HD3' ' N ' ' A' ' 87' ' ' LYS . 0.3 OUTLIER -80.71 -40.53 25.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.433 179.092 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.54 -38.37 71.77 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.889 -179.96 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.65 HG23 HG21 ' A' ' 119' ' ' ILE . 29.7 mt -71.54 -40.51 71.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.148 179.16 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.08 -37.79 86.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.803 178.878 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.54 -47.86 65.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.755 179.306 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 14.0 t -55.14 -40.83 71.02 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.966 178.975 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.41 HD11 HD13 ' A' ' 119' ' ' ILE . 96.9 mt -67.76 -44.1 85.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.139 179.021 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 36.5 m -57.38 -53.86 53.37 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.081 -179.962 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 21.1 tp60 -63.21 -37.84 88.82 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 179.574 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 8.4 mtpp -56.34 -39.33 72.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.019 178.844 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 10.9 mttt 67.1 78.23 0.25 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.618 -179.035 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 14.0 m -142.54 -178.18 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.108 -179.17 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 33.1 mttm -103.9 68.44 0.91 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.966 0.412 . . . . 0.0 111.486 -179.768 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 40.0 mt -142.46 103.92 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.218 179.166 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -125.16 159.09 32.34 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.444 179.533 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.407 HD23 ' HE3' ' A' ' 104' ' ' LYS . 2.7 tp -76.67 132.88 39.63 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.097 0.475 . . . . 0.0 111.811 -179.563 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -80.9 113.18 18.93 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 178.094 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.407 ' HE3' HD23 ' A' ' 102' ' ' LEU . 3.1 mmpt? -71.82 -12.01 61.08 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -178.944 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 78.5 p -94.59 31.99 1.68 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.781 0.324 . . . . 0.0 110.717 179.703 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -103.0 -152.47 0.45 Allowed 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.382 -179.602 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.4 ' HB2' ' CZ ' ' A' ' 107' ' ' ARG . 0.0 OUTLIER -134.03 -76.75 0.47 Allowed 'General case' 0 N--CA 1.456 -0.172 0 CA-C-O 121.189 0.518 . . . . 0.0 111.37 -179.843 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 29.9 p80 -86.89 175.77 8.01 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.582 -0.735 . . . . 0.0 112.05 -178.752 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 39.8 mt -120.74 70.27 0.9 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.857 178.989 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -135.04 117.42 15.7 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.799 -179.418 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 25.5 pt -92.33 172.38 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.956 -179.887 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . 0.415 ' HB2' ' HD3' ' A' ' 78' ' ' ARG . 8.2 p -88.09 168.07 13.11 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.516 179.661 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -65.66 -35.7 81.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.027 0.442 . . . . 0.0 110.474 179.62 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -55.49 -61.22 2.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.18 -179.964 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 14.4 m170 -65.91 -26.96 67.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.763 -179.395 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.444 ' CD ' ' HB2' ' A' ' 83' ' ' ALA . 15.7 ttpp -67.19 -53.69 28.03 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.954 0.407 . . . . 0.0 110.559 179.669 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -68.45 -26.8 65.68 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.031 -179.589 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.484 ' C ' HD23 ' A' ' 118' ' ' LEU . 6.9 tt -75.21 -46.38 34.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.776 -179.354 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.65 HG21 HG23 ' A' ' 89' ' ' ILE . 64.1 mt -81.15 -45.58 20.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -178.142 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.406 ' HB2' ' O ' ' A' ' 116' ' ' LYS . 17.5 mt-30 -59.09 -37.43 77.11 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 -178.66 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 10.1 t . . . . . 0 CA--C 1.531 0.245 0 N-CA-C 114.419 1.266 . . . . 0.0 114.419 -176.342 . . . . . . . . 0 0 . 1 . 041 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.994 0.426 . . . . 0.0 111.3 . . . . . . . . . 0 0 . 1 . 041 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 52.2 mt -108.79 150.61 27.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.987 -179.966 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 46.9 t -51.84 144.55 11.19 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.864 179.627 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 27.6 p -106.35 20.78 18.46 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.849 0.357 . . . . 0.0 111.902 -179.64 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 88.4 mt -115.41 155.83 26.7 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 178.632 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 46.8 mtp180 -121.45 129.88 53.24 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.873 0.368 . . . . 0.0 111.291 -179.277 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -107.74 94.06 4.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.781 178.846 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 67.75 51.45 0.8 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.282 -179.039 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 72.68 9.15 74.02 Favored Glycine 0 N--CA 1.451 -0.356 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.981 179.936 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -109.35 120.22 41.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.948 0.404 . . . . 0.0 111.014 -179.378 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 77' ' ' GLY . 20.7 mmm-85 -76.06 60.12 1.39 Allowed 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.67 -178.813 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.43 ' SG ' ' CE1' ' A' ' 115' ' ' HIS . 0.1 OUTLIER 35.42 -85.56 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 113.801 1.037 . . . . 0.0 113.801 179.291 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 113.16 -29.35 8.06 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.705 -0.76 . . . . 0.0 111.822 -177.945 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 45.1 ttt85 -72.53 136.19 45.81 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.742 0.306 . . . . 0.0 110.485 179.435 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -50.46 157.02 0.77 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.003 0.43 . . . . 0.0 111.926 -179.327 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -86.13 147.13 26.29 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.135 178.988 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -107.98 -128.73 5.89 Favored Glycine 0 CA--C 1.518 0.267 0 C-N-CA 120.462 -0.875 . . . . 0.0 113.82 -178.694 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -108.74 15.11 23.89 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -178.852 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.446 ' HB2' ' HD3' ' A' ' 116' ' ' LYS . . . -100.62 154.77 18.3 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.058 0.456 . . . . 0.0 111.801 -179.431 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 28.6 p -119.51 -168.35 1.57 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.007 179.204 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -123.47 144.16 49.7 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.973 179.522 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 85.7 p -146.72 -174.54 4.5 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.022 0.439 . . . . 0.0 111.327 -179.292 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.406 ' HE3' ' HA ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -78.03 -39.86 40.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.735 178.849 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -54.29 -37.01 64.29 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.287 179.318 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.957 HG23 HG21 ' A' ' 119' ' ' ILE . 50.3 mt -72.65 -34.76 48.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.971 179.151 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.3 -36.89 80.04 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 121.473 0.654 . . . . 0.0 109.405 178.545 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.39 -44.97 77.58 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 114.86 -1.064 . . . . 0.0 109.941 179.512 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 25.1 t -61.9 -42.79 99.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.862 179.011 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 89' ' ' ILE . 97.0 mt -61.83 -41.47 90.82 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.122 179.031 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 53.9 m -59.5 -41.1 89.08 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 10.2 tp60 -64.7 -33.99 77.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.984 0.421 . . . . 0.0 110.08 179.209 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.85 -31.87 61.76 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.007 178.965 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 39.4 mmtt 61.46 69.86 0.63 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.563 -178.529 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 34.5 m -134.66 176.34 9.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.58 -0.737 . . . . 0.0 111.202 -179.222 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.7 mttm -94.5 75.27 3.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.253 -179.928 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 68.2 mt -144.79 99.22 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.492 179.307 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -139.79 165.16 28.04 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.312 179.686 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.9 135.87 40.12 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.179 0.514 . . . . 0.0 111.829 -179.172 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -86.55 123.14 31.43 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.096 178.411 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.9 mmmp? -67.14 -7.63 24.87 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -179.316 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 89.0 p -72.08 -26.23 62.07 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 120.593 0.235 . . . . 0.0 111.632 179.995 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -80.33 -164.06 0.64 Allowed 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -179.096 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.432 ' HB3' ' NH1' ' A' ' 107' ' ' ARG . 10.1 mtm105 -146.09 -61.96 0.32 Allowed 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.948 179.683 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 22.8 p80 -61.75 172.82 1.16 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.891 -178.971 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 83.5 mt -125.75 81.82 2.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.186 179.184 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -144.72 128.24 17.03 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.24 179.998 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 21.5 pt -118.55 163.48 15.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.908 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 8.3 p -82.38 160.63 22.75 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.464 179.559 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -60.85 -33.98 73.89 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.09 0.471 . . . . 0.0 110.199 179.924 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.428 ' O ' ' HB2' ' A' ' 118' ' ' LEU . 53.5 t80 -49.75 -54.43 18.98 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.003 179.904 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . 0.43 ' CE1' ' SG ' ' A' ' 76' ' ' CYS . 18.1 m170 -76.69 -37.25 56.48 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -179.245 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.446 ' HD3' ' HB2' ' A' ' 83' ' ' ALA . 7.5 ttpp -55.61 -44.91 77.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.075 0.464 . . . . 0.0 110.658 -179.967 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -79.65 -37.58 35.66 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.231 -178.806 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.662 HD23 ' O ' ' A' ' 118' ' ' LEU . 6.0 tt -61.45 -31.71 71.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.279 179.977 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.957 HG21 HG23 ' A' ' 89' ' ' ILE . 89.9 mt -92.27 -52.96 9.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 -178.321 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -52.86 -40.06 63.1 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 113.682 0.993 . . . . 0.0 113.682 -178.125 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 80.4 p . . . . . 0 N--CA 1.469 0.485 0 N-CA-C 115.135 1.532 . . . . 0.0 115.135 -175.81 . . . . . . . . 0 0 . 1 . 042 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.163 0 CA-C-O 121.021 0.439 . . . . 0.0 111.371 . . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 28.2 mt -117.97 169.56 9.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.973 -179.813 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.456 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 13.8 t -66.41 150.57 48.7 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.099 -179.924 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 20.6 p -105.98 -5.41 19.59 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.67 -0.241 . . . . 0.0 111.515 179.48 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 86.3 mt -95.04 153.93 17.41 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 178.969 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 52.9 mtp180 -124.25 125.22 44.03 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.939 -179.73 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -101.93 107.46 18.62 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.979 0.419 . . . . 0.0 110.334 179.439 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 58.97 44.55 16.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.954 -179.575 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 85.71 -19.34 25.27 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.786 -0.721 . . . . 0.0 113.058 179.674 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -82.5 121.32 26.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.85 0.325 . . . . 0.0 111.009 -179.749 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.558 ' O ' ' N ' ' A' ' 77' ' ' GLY . 1.2 mmm180 -76.53 58.96 1.42 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.316 -179.524 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.456 ' HB3' ' HB3' ' A' ' 67' ' ' CYS . 0.8 OUTLIER 40.22 -75.35 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 179.734 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.558 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 100.13 -25.35 28.63 Favored Glycine 0 N--CA 1.448 -0.515 0 N-CA-C 111.297 -0.721 . . . . 0.0 111.297 -178.939 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 45.8 ttt180 -69.06 147.55 51.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.812 0.339 . . . . 0.0 110.39 179.693 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.28 144.97 52.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.735 -179.316 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.38 152.53 44.87 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.01 179.115 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -114.51 -164.44 14.86 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.403 -0.903 . . . . 0.0 113.631 -178.93 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -84.85 13.15 6.19 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.637 -0.281 . . . . 0.0 111.747 -179.251 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -107.55 149.32 28.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.995 0.426 . . . . 0.0 111.278 179.936 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -125.59 134.47 51.92 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.71 179.77 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -49.1 112.65 0.66 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.15 179.11 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 11.6 p -115.19 -169.48 1.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.56 -178.63 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.426 ' NZ ' ' HB2' ' A' ' 87' ' ' LYS . 0.9 OUTLIER -77.26 -50.24 13.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.031 179.485 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.94 -39.31 62.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.661 -179.946 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 8.0 mt -66.92 -39.19 82.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 178.873 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 8.1 tm0? -59.72 -47.19 86.64 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.784 178.83 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.3 -41.73 97.48 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.006 179.488 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.421 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 27.2 t -57.67 -49.13 77.51 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 178.736 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 62.2 mt -57.02 -43.08 80.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.38 179.071 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.1 m -63.19 -37.8 88.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.157 -179.865 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -77.59 -37.06 51.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.945 0.403 . . . . 0.0 110.035 179.28 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.421 ' HG3' ' O ' ' A' ' 92' ' ' SER . 5.3 mtpm? -67.68 -38.01 83.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.148 178.9 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.25 78.43 0.25 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.633 -178.411 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 15.4 m -136.33 175.85 9.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.954 -179.354 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 12.9 mttm -88.92 70.35 8.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.934 0.397 . . . . 0.0 111.239 -179.701 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 45.2 mt -141.5 112.93 3.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.367 179.214 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -129.43 168.96 15.54 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.419 -179.702 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -95.92 118.51 32.69 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.112 0.482 . . . . 0.0 112.064 -179.544 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -69.55 129.82 40.75 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 177.897 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 5.1 mtpt -83.05 -10.41 58.74 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.875 -0.33 . . . . 0.0 111.804 -179.47 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 25.9 m -64.35 -35.87 82.27 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.857 0.361 . . . . 0.0 111.127 179.938 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.4 164.44 11.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.2 0.524 . . . . 0.0 112.095 -179.053 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 2.3 ttm-85 -116.85 -22.56 8.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.091 179.666 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 24.7 p80 -109.78 156.18 20.65 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.112 0.482 . . . . 0.0 111.726 -178.8 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 81.1 mt -115.48 79.99 1.37 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.82 178.886 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -141.09 98.0 3.29 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.126 -179.647 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 30.9 pt -77.91 164.45 3.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.896 -179.925 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 25.1 p -82.05 172.87 12.73 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.396 179.578 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -72.25 -33.28 67.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.208 0.528 . . . . 0.0 110.08 179.691 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.409 ' O ' ' HB2' ' A' ' 118' ' ' LEU . 59.1 t80 -50.63 -61.45 2.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.4 -179.954 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -67.36 -32.95 74.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.991 -179.109 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 13.7 ttpp -59.22 -54.29 48.64 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.947 0.403 . . . . 0.0 110.811 -179.937 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -67.0 -39.54 87.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.959 -179.825 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.409 ' HB2' ' O ' ' A' ' 114' ' ' TYR . 2.4 tt -60.91 -39.81 90.77 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.777 -179.116 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 66.2 mt -88.54 -38.34 11.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 113.334 0.865 . . . . 0.0 113.334 -177.809 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -70.81 -36.28 72.88 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 -178.289 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.7 m . . . . . 0 C--N 1.329 -0.325 0 N-CA-C 114.82 1.415 . . . . 0.0 114.82 -176.126 . . . . . . . . 0 0 . 1 . 043 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 . . . . . 0 N--CA 1.455 -0.196 0 CA-C-O 120.818 0.342 . . . . 0.0 110.675 . . . . . . . . . 0 0 . 1 . 043 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -128.43 145.25 51.15 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.243 0.544 . . . . 0.0 111.755 179.52 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 47.9 t -46.07 138.64 5.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.156 -0.929 . . . . 0.0 111.525 -179.67 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 19.6 p -99.68 25.36 7.24 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.355 -179.957 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.486 HD12 ' ND1' ' A' ' 115' ' ' HIS . 81.5 mt -111.34 148.01 33.9 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 178.944 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.45 ' HG2' ' HD3' ' A' ' 75' ' ' ARG . 61.1 mtp180 -114.04 108.39 16.94 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.515 -0.312 . . . . 0.0 111.321 -179.554 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -92.68 120.02 32.67 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 178.92 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 55.61 25.52 8.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.665 -179.066 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 95.51 -16.82 60.49 Favored Glycine 0 C--N 1.332 0.36 0 C-N-CA 120.949 -0.643 . . . . 0.0 113.257 179.361 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -88.4 140.78 29.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.043 0.449 . . . . 0.0 111.485 -179.564 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.473 ' O ' ' N ' ' A' ' 77' ' ' GLY . 1.0 OUTLIER -72.85 61.35 0.55 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.987 -178.722 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 5.2 t 45.19 -82.14 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 178.829 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 114.52 -24.07 11.6 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.127 -179.263 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 16.3 ttt180 -89.23 140.44 29.47 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.333 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.11 151.87 34.45 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.016 0.436 . . . . 0.0 111.745 -178.778 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.78 163.09 5.96 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.389 -179.757 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -124.65 -145.54 6.64 Favored Glycine 0 C--N 1.333 0.396 0 C-N-CA 120.505 -0.855 . . . . 0.0 113.872 -179.034 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.443 ' N ' ' OD1' ' A' ' 82' ' ' ASN . 0.7 OUTLIER -95.0 -13.88 24.85 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -178.41 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.439 ' HB2' ' HD3' ' A' ' 116' ' ' LYS . . . -81.18 164.14 22.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.213 0.53 . . . . 0.0 111.979 -179.174 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -130.33 165.38 22.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.2 179.62 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -95.99 136.98 35.71 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.107 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -145.14 -162.5 1.51 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.926 0.393 . . . . 0.0 111.186 -179.254 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.22 -42.16 32.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.073 179.266 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.3 ttm180 -52.68 -47.75 67.0 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.451 179.554 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.572 HG23 HG21 ' A' ' 119' ' ' ILE . 27.5 mt -63.98 -36.2 76.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.293 -0.412 . . . . 0.0 109.945 179.326 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -59.43 -49.19 78.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.654 0.74 . . . . 0.0 109.146 178.296 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.29 -51.74 64.86 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.448 -1.251 . . . . 0.0 110.439 179.359 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -49.81 -48.19 50.88 Favored 'General case' 0 N--CA 1.461 0.109 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.656 179.368 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.456 HG23 ' CG2' ' A' ' 98' ' ' VAL . 73.0 mt -60.8 -51.9 67.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.463 179.215 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.9 m -50.03 -34.28 20.89 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.311 -179.82 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.16 -39.15 25.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.002 0.429 . . . . 0.0 110.185 179.694 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.508 ' HE2' ' HA ' ' A' ' 119' ' ' ILE . 35.6 mttp -65.76 -37.7 87.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.388 178.814 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 65.76 75.12 0.35 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.474 -178.305 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.456 ' CG2' HG23 ' A' ' 93' ' ' ILE . 10.0 m -130.14 160.2 41.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.13 -179.38 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 25.1 mttm -80.57 61.03 4.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.919 0.39 . . . . 0.0 111.429 -179.601 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 72.1 mt -131.52 107.64 13.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.253 179.07 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -124.66 149.53 47.05 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.384 179.917 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -84.22 124.96 31.76 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.072 0.463 . . . . 0.0 111.819 -179.628 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -64.77 137.06 57.57 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 177.609 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 4.0 mmtp -91.29 -23.35 20.17 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.628 -179.263 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 11.3 p -82.92 7.56 15.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.686 -0.234 . . . . 0.0 111.399 179.822 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -63.67 179.21 0.5 Allowed 'General case' 0 CA--C 1.519 -0.221 0 CA-C-O 121.458 0.646 . . . . 0.0 111.869 -179.499 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -114.1 -19.13 11.49 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.879 -179.869 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 16.7 p80 -158.94 -159.91 0.81 Allowed 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.487 -178.369 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 83.1 mt -119.49 -117.31 0.32 Allowed 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 178.539 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 59.79 121.38 0.01 OUTLIER 'General case' 0 C--N 1.34 0.156 0 CA-C-O 121.202 0.525 . . . . 0.0 111.882 179.456 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 35.1 pt -114.36 154.68 15.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.319 179.309 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 18.1 p -76.72 155.04 33.57 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.626 179.88 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.73 -37.1 58.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.114 0.483 . . . . 0.0 110.439 179.648 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 36.3 t80 -49.8 -59.12 4.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.17 -179.573 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . 0.486 ' ND1' HD12 ' A' ' 69' ' ' LEU . 23.7 m170 -67.51 -38.69 84.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.624 -179.504 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.439 ' HD3' ' HB2' ' A' ' 83' ' ' ALA . 8.2 ttpp -55.17 -51.22 67.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.072 0.463 . . . . 0.0 110.51 179.678 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.413 ' ND2' ' OG ' ' A' ' 121' ' ' SER . 5.5 t-20 -68.82 -37.2 79.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.004 -179.967 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.642 HD23 ' O ' ' A' ' 118' ' ' LEU . 4.1 tt -65.6 -35.98 82.41 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.649 -179.247 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.572 HG21 HG23 ' A' ' 89' ' ' ILE . 72.9 mt -88.39 -41.4 14.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 -177.864 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -72.29 -34.58 68.27 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 -178.243 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.413 ' OG ' ' ND2' ' A' ' 117' ' ' ASN . 17.8 m . . . . . 0 C--N 1.328 -0.367 0 N-CA-C 114.913 1.449 . . . . 0.0 114.913 -176.326 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 . . . . . 0 CA--C 1.522 -0.134 0 CA-C-O 120.813 0.339 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 044 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.08 140.86 49.15 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 121.401 0.62 . . . . 0.0 112.043 179.98 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 43.5 t -43.6 144.25 0.83 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 114.891 -1.049 . . . . 0.0 111.481 -179.81 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 31.2 p -105.78 24.99 11.4 Favored 'General case' 0 CA--C 1.528 0.126 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.439 -179.681 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 90.9 mt -113.07 149.04 34.02 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 178.445 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.471 ' HG2' ' HD3' ' A' ' 75' ' ' ARG . 17.1 mtp180 -113.79 142.36 46.17 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.908 0.385 . . . . 0.0 111.143 -179.527 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -121.64 99.39 6.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.868 178.912 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 65.15 29.98 11.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.586 -179.169 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 102.77 -22.43 37.18 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.802 -0.713 . . . . 0.0 113.382 179.232 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -88.6 126.59 35.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.277 0.561 . . . . 0.0 111.902 -179.468 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.471 ' HD3' ' HG2' ' A' ' 70' ' ' ARG . 7.0 tpp85 -69.12 63.18 0.13 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.105 -0.952 . . . . 0.0 112.175 -178.861 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 12.2 t 48.05 -86.38 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 178.463 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 114.44 -5.85 23.02 Favored Glycine 0 CA--C 1.522 0.497 0 C-N-CA 120.37 -0.919 . . . . 0.0 113.017 -179.262 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 56.6 ttt180 -104.7 143.17 33.46 Favored 'General case' 0 C--N 1.334 -0.105 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 179.214 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.02 162.76 5.33 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.005 0.431 . . . . 0.0 111.735 -178.734 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -78.71 165.12 23.98 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.821 -179.59 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -118.82 -135.59 5.21 Favored Glycine 0 C--N 1.334 0.462 0 C-N-CA 120.809 -0.71 . . . . 0.0 113.783 -179.139 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -111.21 -16.12 13.5 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 112.235 0.458 . . . . 0.0 112.235 -178.39 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.09 -161.86 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.839 0.352 . . . . 0.0 111.315 -179.701 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 32.4 p -162.97 150.79 13.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 179.731 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -76.85 140.63 40.68 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.247 -0.433 . . . . 0.0 109.848 178.906 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 90.8 p -145.02 -170.18 3.36 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.085 0.469 . . . . 0.0 111.328 -179.302 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.05 -40.42 38.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.052 178.46 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -53.27 -47.43 69.14 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 121.049 0.452 . . . . 0.0 110.323 179.561 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.989 HG23 HG21 ' A' ' 119' ' ' ILE . 49.7 mt -64.13 -36.26 76.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.289 179.426 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -62.12 -47.52 84.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.069 0.461 . . . . 0.0 109.915 179.216 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.9 tmtm? -61.67 -49.62 75.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.867 179.243 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 16.7 m -52.18 -43.6 64.24 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.211 179.117 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.427 HG23 ' CG2' ' A' ' 98' ' ' VAL . 97.2 mt -61.76 -52.1 64.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.141 -0.482 . . . . 0.0 109.962 178.8 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 40.1 m -49.63 -47.1 49.99 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.119 -179.845 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 41.9 tp60 -62.29 -47.7 83.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.993 0.425 . . . . 0.0 109.981 179.57 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 44.7 mttp -60.5 -42.27 96.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.067 178.755 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 2.2 mmtm 70.83 80.58 0.16 Allowed 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.451 -178.592 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.427 ' CG2' HG23 ' A' ' 93' ' ' ILE . 19.0 m -134.39 162.2 39.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.385 -178.965 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 9.9 mttm -81.28 57.78 3.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.303 -179.755 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 63.4 mt -134.87 105.49 6.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.541 179.511 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -127.77 158.27 38.13 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.243 179.849 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.466 HD23 ' NZ ' ' A' ' 104' ' ' LYS . 0.6 OUTLIER -84.43 131.8 34.63 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.292 0.568 . . . . 0.0 112.093 -179.497 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -77.98 143.66 37.39 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 177.839 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.466 ' NZ ' HD23 ' A' ' 102' ' ' LEU . 0.8 OUTLIER -95.46 -12.83 25.22 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.826 -0.35 . . . . 0.0 111.475 -179.721 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.2 p -87.63 2.89 49.72 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 120.539 0.209 . . . . 0.0 111.321 179.61 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -68.17 -138.54 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 116.701 -0.227 . . . . 0.0 111.021 -179.666 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -161.27 -67.39 0.06 Allowed 'General case' 0 N--CA 1.455 -0.218 0 CA-C-O 121.114 0.483 . . . . 0.0 110.763 179.991 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 17.0 p80 -86.54 176.75 7.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.551 -179.371 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 72.4 mt -124.93 66.34 1.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.002 179.149 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -136.32 128.75 30.3 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.265 -179.71 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 18.3 pt -105.62 -176.75 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.892 179.905 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 20.8 p -98.22 158.33 15.63 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.43 179.604 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.16 -32.82 66.79 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.005 0.431 . . . . 0.0 110.572 179.7 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -57.48 -62.18 1.96 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.642 -179.502 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 19.3 m170 -65.24 -36.6 84.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.579 -179.219 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 9.2 ttpp -58.37 -54.63 44.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.982 0.42 . . . . 0.0 110.782 -179.904 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.424 ' O ' ' HB2' ' A' ' 121' ' ' SER . 14.4 t-20 -67.12 -34.76 78.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.552 -179.665 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.685 HD23 ' O ' ' A' ' 118' ' ' LEU . 4.2 tt -64.2 -42.28 96.71 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.846 -179.246 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.989 HG21 HG23 ' A' ' 89' ' ' ILE . 77.2 mt -84.47 -36.89 12.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 -177.878 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -72.34 -33.65 67.45 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 -178.236 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.424 ' HB2' ' O ' ' A' ' 117' ' ' ASN . 0.5 OUTLIER . . . . . 0 N--CA 1.465 0.306 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 -176.895 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 . . . . . 0 N--CA 1.455 -0.223 0 CA-C-O 120.837 0.351 . . . . 0.0 110.512 . . . . . . . . . 0 0 . 1 . 045 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.62 169.63 8.68 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.07 0.462 . . . . 0.0 111.699 -179.975 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 15.8 t -70.44 130.04 40.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.947 -179.857 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 26.6 p -90.25 39.0 0.95 Allowed 'General case' 0 N--CA 1.462 0.137 0 N-CA-C 112.13 0.419 . . . . 0.0 112.13 -179.326 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 76.0 mt -126.28 162.43 25.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.784 0.326 . . . . 0.0 110.447 177.812 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.462 ' HG2' ' HD3' ' A' ' 75' ' ' ARG . 19.3 mtp-105 -134.68 105.46 6.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.828 179.869 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -93.56 118.55 31.5 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 179.064 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 54.73 29.35 11.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.363 -178.934 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 88.26 -7.99 79.91 Favored Glycine 0 C--N 1.332 0.356 0 CA-C-N 115.736 -0.666 . . . . 0.0 113.344 179.415 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -87.92 126.84 35.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 117.186 0.493 . . . . 0.0 110.515 179.424 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.551 ' O ' ' N ' ' A' ' 77' ' ' GLY . 0.0 OUTLIER -74.27 57.35 0.67 Allowed 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.506 -179.009 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t 47.23 -71.47 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 113.607 0.965 . . . . 0.0 113.607 179.774 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.551 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 99.89 -9.52 60.07 Favored Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 111.39 -0.684 . . . . 0.0 111.39 -178.494 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 57.3 ttt-85 -100.46 143.01 31.15 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 179.21 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.53 166.43 6.74 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.019 0.438 . . . . 0.0 111.891 -178.714 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.27 151.19 36.85 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.399 -179.489 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -104.75 -125.75 5.65 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.7 -0.762 . . . . 0.0 113.753 -179.038 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -117.9 -29.3 5.7 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 111.968 0.358 . . . . 0.0 111.968 -178.122 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.3 159.58 32.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.037 0.446 . . . . 0.0 111.826 -179.279 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -126.27 143.76 51.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.679 179.856 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -64.45 135.01 55.65 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 178.955 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -137.18 -167.27 2.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.142 0.496 . . . . 0.0 111.857 -178.87 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.428 ' O ' ' HB3' ' A' ' 90' ' ' GLN . 2.5 mmtm -77.38 -43.88 31.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.277 178.94 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.4 ttm180 -52.69 -55.77 20.24 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.443 -0.798 . . . . 0.0 110.33 179.392 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.616 HG23 HG21 ' A' ' 119' ' ' ILE . 83.5 mt -51.94 -35.91 19.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.66 179.785 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.428 ' HB3' ' O ' ' A' ' 87' ' ' LYS . 0.5 OUTLIER -65.33 -46.56 79.81 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 178.972 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.71 -39.38 80.62 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.678 179.235 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 54.9 m -63.85 -45.39 89.7 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.797 178.907 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 86.5 mt -62.65 -30.19 48.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.015 178.883 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 33.9 m -73.76 -33.19 64.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.038 -179.975 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -81.01 -26.98 36.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.889 0.376 . . . . 0.0 110.312 179.451 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 97' ' ' LYS . 10.1 mttm -78.59 -42.73 28.29 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.399 178.938 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 96' ' ' LYS . 3.6 mmmt 67.9 67.68 0.35 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.655 -178.266 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 28.6 m -122.67 174.84 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.97 -179.521 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 32.7 mttp -89.44 41.47 1.04 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.395 -179.632 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 75.6 mt -108.66 116.86 52.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.836 0.351 . . . . 0.0 110.18 179.212 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -141.16 157.76 44.84 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.637 -179.935 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.476 ' HG ' ' N ' ' A' ' 103' ' ' ASP . 0.6 OUTLIER -86.15 146.39 26.6 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.225 0.536 . . . . 0.0 111.845 -179.308 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.476 ' N ' ' HG ' ' A' ' 102' ' ' LEU . 66.7 t0 -95.09 138.8 32.32 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 177.676 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 20.3 mmtm -96.89 13.24 29.45 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -179.102 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.8 p -95.36 -24.63 16.63 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.779 0.323 . . . . 0.0 111.18 -179.749 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -65.74 174.48 2.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.168 0.508 . . . . 0.0 111.845 -179.333 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 45.3 mtm180 -121.03 -0.86 9.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.877 179.398 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . 0.424 ' HB2' ' CD2' ' A' ' 110' ' ' TYR . 7.8 p80 -136.28 159.44 41.73 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 121.046 0.45 . . . . 0.0 111.74 -178.762 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 14.7 mt -117.3 59.91 0.76 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.627 179.652 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.424 ' CD2' ' HB2' ' A' ' 108' ' ' HIS . 80.7 m-85 -124.45 122.96 39.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.946 179.465 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 29.6 pt -103.94 168.52 2.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.798 179.846 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 25.8 p -79.69 148.99 31.35 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.55 179.688 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -52.59 -32.85 43.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.132 0.491 . . . . 0.0 110.184 179.833 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -52.9 -55.83 20.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.207 179.972 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 10.7 m170 -68.04 -36.03 79.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.635 -179.435 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.405 ' O ' ' HB2' ' A' ' 120' ' ' GLN . 4.2 ttpp -58.99 -50.92 72.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.978 0.418 . . . . 0.0 110.293 179.522 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -67.02 -34.37 77.59 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.21 -179.519 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.512 HD23 ' O ' ' A' ' 118' ' ' LEU . 4.6 tt -68.71 -42.84 77.13 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.961 -179.175 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.616 HG21 HG23 ' A' ' 89' ' ' ILE . 60.1 mt -83.88 -36.79 12.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 -177.839 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.405 ' HB2' ' O ' ' A' ' 116' ' ' LYS . 1.1 mt-30 -73.14 -38.12 66.37 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 -178.565 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 47.4 m . . . . . 0 C--N 1.326 -0.432 0 N-CA-C 114.859 1.429 . . . . 0.0 114.859 -175.908 . . . . . . . . 0 0 . 1 . 046 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 . . . . . 0 N--CA 1.455 -0.213 0 CA-C-O 120.713 0.292 . . . . 0.0 110.589 . . . . . . . . . 0 0 . 1 . 046 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 55.9 mt -97.28 148.29 23.27 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.468 179.535 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 41.6 t -48.93 151.82 1.17 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.748 179.686 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 11.0 p -110.55 32.88 4.87 Favored 'General case' 0 N--CA 1.462 0.153 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -179.252 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 96.9 mt -111.72 157.07 20.94 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 110.197 -0.297 . . . . 0.0 110.197 177.938 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.469 ' HG2' ' HD2' ' A' ' 75' ' ' ARG . 14.4 mtp180 -122.67 114.09 20.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.517 -179.647 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -101.7 106.03 17.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.038 178.96 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 57.21 43.7 23.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.716 -179.396 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 84.65 -11.41 59.28 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.956 -0.64 . . . . 0.0 113.302 179.518 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.4 ' O ' ' HA ' ' A' ' 70' ' ' ARG . 2.9 mm-40 -88.51 130.23 35.27 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.982 0.391 . . . . 0.0 111.279 -179.378 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.469 ' HD2' ' HG2' ' A' ' 70' ' ' ARG . 35.2 mmm-85 -81.56 62.09 5.27 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.875 -178.954 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 16.3 t 40.29 -86.7 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 179.073 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 108.03 -10.95 37.45 Favored Glycine 0 C--N 1.334 0.448 0 C-N-CA 120.516 -0.849 . . . . 0.0 112.848 -179.602 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 42.2 ttt180 -91.74 153.86 19.34 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.783 0.325 . . . . 0.0 110.436 179.86 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.22 139.82 54.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.848 -179.311 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.79 149.84 29.92 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.046 179.006 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -107.39 -130.45 6.38 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.361 -0.923 . . . . 0.0 114.059 -178.615 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -115.76 -3.55 12.23 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 -178.169 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.455 ' HB2' ' HD2' ' A' ' 116' ' ' LYS . . . -86.74 -174.8 5.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.943 0.402 . . . . 0.0 111.646 -179.151 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.5 m -140.19 178.83 7.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.07 179.612 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -112.04 89.9 3.19 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.751 -0.462 . . . . 0.0 109.751 178.971 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 79.9 p -87.51 -171.41 3.44 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.503 -178.866 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.4 mmtm -78.08 -38.26 44.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.968 179.05 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -53.85 -46.32 71.19 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.68 HG23 HG21 ' A' ' 119' ' ' ILE . 63.1 mt -62.4 -37.64 79.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.34 179.42 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.91 -52.06 65.6 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.384 0.612 . . . . 0.0 109.437 178.591 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.75 -38.32 75.15 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.043 -0.98 . . . . 0.0 109.746 179.199 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.7 t -60.6 -51.52 69.06 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.298 179.053 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 98.6 mt -56.37 -47.82 80.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.368 179.225 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 49.2 m -55.79 -42.96 76.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.158 -179.784 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -69.69 -31.47 69.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.886 0.374 . . . . 0.0 110.217 179.876 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -72.79 -39.42 66.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.237 0.541 . . . . 0.0 109.582 178.321 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 20.8 mttp 67.34 67.19 0.39 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.446 -178.692 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 23.7 m -126.15 -175.96 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.372 -179.057 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 8.0 mmtm -100.28 68.51 1.42 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.251 -179.822 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 61.3 mt -141.89 100.18 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.85 0.357 . . . . 0.0 110.807 179.518 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -126.82 152.44 46.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.263 179.497 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 12.1 tp -71.46 138.44 49.01 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.334 0.588 . . . . 0.0 111.802 -179.488 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -71.17 107.67 4.31 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.268 177.972 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 9.1 mmtp -64.37 -15.66 60.86 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 111.665 0.246 . . . . 0.0 111.665 -179.414 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 10.7 p -100.24 22.36 11.6 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.608 0.242 . . . . 0.0 111.106 -179.922 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -78.32 -178.5 5.75 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-O 121.256 0.551 . . . . 0.0 111.675 -179.774 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.23 -35.01 5.14 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.108 -179.817 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 28.6 p80 -145.18 -162.58 1.53 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.054 -178.695 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 57.3 mt -120.26 -126.58 0.27 Allowed 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 178.629 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.44 ' HA ' ' O ' ' A' ' 83' ' ' ALA . 91.5 m-85 57.04 84.62 0.09 Allowed 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 118.344 0.52 . . . . 0.0 111.525 179.356 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 31.6 pt -78.45 173.38 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.4 179.42 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 22.0 p -84.12 157.25 21.78 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.621 179.831 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.77 -32.22 69.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.129 0.49 . . . . 0.0 110.155 179.591 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -52.66 -58.18 7.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.343 179.991 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 11.9 m80 -68.46 -34.28 75.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.602 -179.567 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.455 ' HD2' ' HB2' ' A' ' 83' ' ' ALA . 1.1 ttpm? -58.55 -48.66 80.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.114 0.483 . . . . 0.0 110.598 179.832 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -71.63 -41.08 69.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.13 -179.628 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.636 HD23 ' O ' ' A' ' 118' ' ' LEU . 3.4 tt -62.65 -33.5 75.17 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.828 -179.058 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.68 HG21 HG23 ' A' ' 89' ' ' ILE . 63.7 mt -94.63 -35.75 6.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 -177.741 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.433 ' NE2' ' HE2' ' A' ' 116' ' ' LYS . 10.7 mt-30 -68.71 -46.53 68.7 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 -178.269 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 2.2 m . . . . . 0 C--N 1.327 -0.388 0 N-CA-C 114.898 1.444 . . . . 0.0 114.898 -175.088 . . . . . . . . 0 0 . 1 . 047 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 . . . . . 0 N--CA 1.455 -0.214 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 . . . . . . . . . 0 0 . 1 . 047 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 79' ' ' ALA . 0.8 OUTLIER -124.36 155.31 38.99 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-O 121.211 0.529 . . . . 0.0 111.944 179.486 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 46.7 t -49.4 158.43 0.41 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.356 -179.586 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 18.9 m -127.95 32.63 4.9 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 121.019 0.437 . . . . 0.0 111.379 -179.971 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 68.9 mt -117.63 158.11 25.22 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 178.851 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 50.0 mtt-85 -123.16 122.5 38.58 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.328 -179.445 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 74' ' ' GLU . 10.1 tt0 -92.47 120.44 32.96 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.017 178.986 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 50.51 40.2 22.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.038 0.447 . . . . 0.0 110.611 -179.453 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 78.7 -1.01 74.87 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.955 179.895 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' A' ' 71' ' ' GLU . 1.3 mm-40 -109.19 142.73 39.58 Favored 'General case' 0 C--N 1.334 -0.08 0 CA-C-O 121.11 0.481 . . . . 0.0 111.637 -179.77 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.6 mmm-85 -62.15 152.86 31.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.53 -0.759 . . . . 0.0 112.503 -179.036 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.455 ' SG ' ' CE1' ' A' ' 115' ' ' HIS . 1.7 t -69.29 -150.87 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.961 179.199 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -177.73 43.64 0.09 OUTLIER Glycine 0 C--N 1.335 0.518 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.593 179.889 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 17.9 ttt85 -152.02 150.45 29.98 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 178.962 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.406 ' HA ' HD12 ' A' ' 66' ' ' LEU . . . -65.58 161.38 20.44 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.002 0.43 . . . . 0.0 111.728 -178.623 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -83.24 157.68 22.58 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.781 -179.523 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -122.75 -162.6 11.58 Favored Glycine 0 C--N 1.335 0.519 0 C-N-CA 120.756 -0.735 . . . . 0.0 113.423 -179.388 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -73.5 -15.2 61.32 Favored 'General case' 0 N--CA 1.462 0.173 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -178.916 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -74.57 145.56 43.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.944 0.402 . . . . 0.0 111.417 -179.763 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 50.3 m -123.64 140.92 52.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.69 179.73 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -61.46 114.34 3.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.11 -0.496 . . . . 0.0 109.992 179.271 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 79.8 p -119.53 -162.22 0.91 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.994 -179.206 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.3 mmtp -81.11 -44.74 17.5 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.699 178.751 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? -52.5 -39.48 61.32 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.322 -179.327 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 78.5 mt -68.26 -35.58 71.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.825 0.345 . . . . 0.0 110.254 179.435 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.96 -44.9 83.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.552 0.691 . . . . 0.0 109.192 178.409 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 19.2 mmtt -59.93 -50.75 72.55 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 114.821 -1.081 . . . . 0.0 110.392 179.101 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 51.7 p -56.8 -41.76 78.31 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.46 179.357 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.4 ' HA ' ' HD3' ' A' ' 96' ' ' LYS . 85.0 mt -62.88 -40.21 87.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 178.722 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.421 ' O ' ' HG2' ' A' ' 97' ' ' LYS . 12.8 t -65.45 -34.36 78.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.375 -179.907 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -73.9 -35.73 64.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.005 0.431 . . . . 0.0 110.189 179.868 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.4 ' HD3' ' HA ' ' A' ' 93' ' ' ILE . 3.3 mtpm? -75.51 -37.81 59.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.82 178.66 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.421 ' HG2' ' O ' ' A' ' 94' ' ' SER . 6.6 mtmm 66.23 74.75 0.35 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.764 -178.671 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 17.0 m -127.06 -178.9 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.147 -179.321 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 12.2 mttm -102.07 71.61 1.27 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.454 -179.719 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 54.9 mt -137.81 109.9 6.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.194 179.093 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.62 174.37 7.48 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.719 -179.835 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.2 tp -92.01 131.38 37.34 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.811 -179.29 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.4 ' OD1' ' N ' ' A' ' 105' ' ' SER . 15.6 t0 -67.05 125.51 26.22 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 178.356 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 33.7 mtmm -76.43 -30.66 57.49 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -178.724 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . 0.4 ' N ' ' OD1' ' A' ' 103' ' ' ASP . 0.4 OUTLIER -68.09 -21.16 64.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.632 0.253 . . . . 0.0 110.975 -179.957 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -48.12 172.01 0.01 OUTLIER 'General case' 0 CA--C 1.521 -0.172 0 CA-C-O 121.292 0.568 . . . . 0.0 111.787 -179.31 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.14 -36.33 2.53 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.862 -179.267 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 10.7 p80 -112.77 -170.41 1.66 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.355 -179.21 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 46.5 mt -136.2 80.75 1.84 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.607 178.642 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -149.02 104.95 3.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.9 -178.736 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 21.1 pt -79.91 -175.98 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.991 -179.997 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 19.6 p -101.97 169.4 8.79 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.473 179.464 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -69.1 -30.47 68.78 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.115 0.483 . . . . 0.0 110.152 179.678 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.408 ' O ' ' HB2' ' A' ' 118' ' ' LEU . 90.2 t80 -55.87 -61.16 2.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.204 179.973 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . 0.455 ' CE1' ' SG ' ' A' ' 76' ' ' CYS . 13.7 m170 -68.28 -37.4 80.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.708 -179.4 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 7.9 ttpp -54.63 -52.67 61.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.959 0.409 . . . . 0.0 110.47 179.846 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 20.0 t30 -70.8 -35.62 72.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.317 -179.551 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.602 HD23 ' O ' ' A' ' 118' ' ' LEU . 4.5 tt -63.72 -37.34 86.98 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.636 -179.366 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 54.9 mt -91.15 -48.42 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 -178.28 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -59.21 -33.56 71.12 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 -178.344 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 83.3 p . . . . . 0 N--CA 1.465 0.319 0 N-CA-C 114.503 1.297 . . . . 0.0 114.503 -176.241 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 33.4 t . . . . . 0 N--CA 1.481 1.08 0 CA-C-O 119.993 -0.051 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -114.24 26.15 10.51 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 121.149 0.499 . . . . 0.0 111.523 179.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -157.21 14.59 0.26 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.259 177.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -110.03 18.85 28.29 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.351 -179.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.73 -177.8 3.77 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.4 ' HA ' ' HA ' ' A' ' 79' ' ' ALA . 0.1 OUTLIER -116.76 164.24 14.94 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.087 0.47 . . . . 0.0 111.84 -179.881 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 38.2 t -60.32 148.95 35.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.198 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 22.4 p -111.64 38.46 2.61 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.391 -179.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.423 HD12 ' ND1' ' A' ' 115' ' ' HIS . 32.7 mt -131.69 145.84 51.86 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.886 -0.412 . . . . 0.0 109.886 178.705 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.41 ' HA ' ' O ' ' A' ' 74' ' ' GLU . 53.7 mtp180 -116.06 112.22 21.45 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.437 -179.462 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -89.93 90.68 8.27 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 178.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.2 t0 68.27 40.1 2.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.514 -179.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 89.01 -3.95 84.69 Favored Glycine 0 CA--C 1.52 0.369 0 C-N-CA 120.852 -0.69 . . . . 0.0 113.159 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.41 ' O ' ' HA ' ' A' ' 70' ' ' ARG . 5.2 mm-40 -93.41 122.5 35.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 117.071 0.436 . . . . 0.0 111.343 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.517 ' O ' ' N ' ' A' ' 77' ' ' GLY . 3.6 tpp180 -77.33 57.92 1.57 Allowed 'General case' 0 C--O 1.225 -0.21 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.242 -179.318 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.3 t 41.87 -76.39 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 109.45 -34.08 5.71 Favored Glycine 0 N--CA 1.45 -0.367 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 -178.515 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 39.1 ttt180 -75.44 138.71 41.82 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 178.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.4 ' HA ' ' HA ' ' A' ' 66' ' ' LEU . . . -61.08 167.33 3.05 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.046 0.45 . . . . 0.0 111.9 -178.559 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -78.57 148.86 33.16 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.527 -179.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -107.03 -149.03 15.46 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.748 -0.739 . . . . 0.0 113.457 -179.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -95.73 -3.54 45.74 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -178.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.431 ' HB2' ' HD3' ' A' ' 116' ' ' LYS . . . -83.28 167.68 17.4 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.899 0.38 . . . . 0.0 111.446 -179.683 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.27 149.14 51.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.594 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -79.86 112.17 16.89 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 178.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 89.5 p -115.21 -168.21 1.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.19 0.519 . . . . 0.0 111.611 -178.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.9 -44.32 22.95 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.617 179.616 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.24 -42.83 70.33 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.476 179.326 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.681 HG23 HG21 ' A' ' 119' ' ' ILE . 39.9 mt -65.17 -41.23 91.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.133 179.318 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.55 -51.82 68.2 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-O 121.483 0.658 . . . . 0.0 109.447 178.606 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.91 -44.5 86.87 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 114.857 -1.065 . . . . 0.0 110.073 179.191 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 31.7 t -56.19 -45.97 79.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.015 178.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.02 -49.51 84.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.318 179.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.74 -45.13 58.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.181 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.89 -47.44 84.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.837 0.351 . . . . 0.0 110.114 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.699 ' HE2' HG21 ' A' ' 122' ' ' VAL . 1.3 mtpm? -61.33 -34.77 75.8 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 178.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.5 mmtp 60.84 74.61 0.44 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.496 -0.774 . . . . 0.0 109.657 -178.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 16.3 m -129.68 174.21 12.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.242 -179.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 45.1 mttm -88.48 63.16 6.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.531 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 32.5 mt -133.41 109.66 13.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.172 179.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -131.98 154.48 49.28 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.829 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 16.9 tp -69.57 142.99 53.47 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.342 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -91.32 125.61 36.14 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 177.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 7.7 mtmt -85.74 -12.68 50.46 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -178.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.2 p -76.35 -3.69 38.19 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.212 179.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -85.07 175.37 9.06 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 121.157 0.503 . . . . 0.0 112.04 -179.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -126.11 -15.28 5.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.676 179.431 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 29.9 p80 -118.61 166.37 12.82 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.211 0.529 . . . . 0.0 111.667 -178.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 62.2 mt -122.95 77.65 1.47 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.739 178.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -143.85 120.4 11.06 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.176 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 35.6 pt -100.15 170.95 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 16.4 p -84.59 164.12 18.89 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.473 179.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -64.1 -34.0 77.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.138 0.494 . . . . 0.0 110.335 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -54.51 -61.19 2.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.318 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . 0.423 ' ND1' HD12 ' A' ' 69' ' ' LEU . 23.6 m170 -64.1 -34.23 77.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.778 -179.325 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.431 ' HD3' ' HB2' ' A' ' 83' ' ' ALA . 14.8 ttpp -58.98 -53.94 52.78 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.058 0.456 . . . . 0.0 110.553 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -63.45 -46.32 86.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.92 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.401 ' O ' HD23 ' A' ' 118' ' ' LEU . 4.3 tt -56.44 -45.29 80.86 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.011 -178.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.681 HG21 HG23 ' A' ' 89' ' ' ILE . 81.2 mt -77.24 -38.57 27.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -178.039 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -70.07 -38.39 75.72 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 -178.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.09 30.34 0.6 Allowed 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 114.802 1.408 . . . . 0.0 114.802 -175.355 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.699 HG21 ' HE2' ' A' ' 96' ' ' LYS . 78.0 t -106.7 -22.73 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 C-N-CA 120.498 -0.481 . . . . 0.0 109.97 177.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.436 ' NH1' ' HB2' ' A' ' 123' ' ' ARG . 6.6 mtm105 -114.58 25.95 10.6 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.622 178.46 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -171.21 92.79 0.16 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.782 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -159.58 -38.61 0.06 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.746 -178.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 3.3 ttt85 -141.14 175.13 9.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.06 179.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -149.66 19.97 0.92 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.855 0.36 . . . . 0.0 111.035 179.235 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -159.27 130.68 6.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 109.899 179.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.03 -35.88 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.069 -179.326 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -162.88 -28.69 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 CA-C-N 115.804 -0.635 . . . . 0.0 112.369 179.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 9.3 t . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.519 179.148 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.8 p . . . . . 0 N--CA 1.484 1.24 0 CA-C-O 121.243 0.544 . . . . 0.0 111.412 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -107.06 86.1 2.25 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.233 179.073 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -154.25 16.18 0.47 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.414 178.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -120.58 53.35 0.69 Allowed Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.888 -0.672 . . . . 0.0 111.663 -179.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.47 -178.08 4.3 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.041 0.448 . . . . 0.0 111.214 -179.46 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 14.0 mt -124.3 146.65 48.66 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.351 179.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.429 ' O ' ' NH2' ' A' ' 75' ' ' ARG . 51.5 t -46.92 158.42 0.13 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.935 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 28.4 p -122.71 31.95 5.9 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -179.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 75.3 mt -122.43 163.26 20.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.78 0.324 . . . . 0.0 110.196 178.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 28.7 mtp180 -117.17 148.28 41.72 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.706 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -118.42 100.95 7.8 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.951 179.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 59.15 42.38 18.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.457 -179.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 84.36 -9.12 65.23 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.938 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -106.01 122.15 45.57 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-O 121.171 0.51 . . . . 0.0 111.246 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.429 ' NH2' ' O ' ' A' ' 67' ' ' CYS . 15.0 tpt180 -53.86 141.61 26.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.515 -0.766 . . . . 0.0 112.495 -179.072 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 34.7 t -58.0 -72.65 0.09 Allowed 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.728 178.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 95.45 -22.53 38.35 Favored Glycine 0 C--N 1.331 0.296 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.936 179.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 50.1 ttt85 -66.53 140.27 57.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.802 0.334 . . . . 0.0 110.618 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -50.08 150.77 2.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.589 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.78 152.34 44.71 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.211 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -100.85 -131.58 7.45 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.536 -0.84 . . . . 0.0 113.761 -178.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -119.21 7.2 11.26 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -178.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -115.34 173.87 6.29 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.038 0.447 . . . . 0.0 111.504 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.7 m -133.13 160.37 37.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.572 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -75.08 142.75 43.67 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.659 -0.496 . . . . 0.0 109.659 178.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 60.6 p -149.27 -164.47 2.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.024 0.44 . . . . 0.0 111.457 -179.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.14 -44.44 25.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.322 179.184 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.81 -41.79 64.5 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.503 -0.772 . . . . 0.0 110.723 179.665 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.873 HG23 HG21 ' A' ' 119' ' ' ILE . 20.6 mt -69.0 -41.88 81.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.978 179.236 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -57.58 -44.66 85.49 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-O 121.649 0.737 . . . . 0.0 109.155 178.241 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.8 mmtp -65.49 -42.49 92.08 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 114.479 -1.237 . . . . 0.0 110.131 179.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.571 ' HA ' ' HD3' ' A' ' 123' ' ' ARG . 59.1 m -60.99 -44.64 97.1 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.382 179.558 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.544 HG23 HG22 ' A' ' 98' ' ' VAL . 95.3 mt -63.88 -41.83 93.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.063 0.458 . . . . 0.0 109.827 178.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 20.6 t -55.34 -43.78 75.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.274 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -67.51 -25.31 65.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.86 0.362 . . . . 0.0 110.364 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.571 ' NZ ' HG23 ' A' ' 119' ' ' ILE . 27.0 mttp -84.89 -38.44 19.41 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.069 178.727 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 33.4 mmtm 63.78 61.58 0.97 Allowed 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.55 -178.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.544 HG22 HG23 ' A' ' 93' ' ' ILE . 34.7 m -112.84 168.63 5.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.17 -179.453 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 53.4 mttm -88.35 43.57 1.14 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.591 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 29.6 mt -116.93 100.01 9.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.959 0.409 . . . . 0.0 109.929 178.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -118.66 167.93 11.19 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.722 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.1 tt -87.1 117.54 25.9 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.912 -179.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -63.23 140.88 58.92 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 177.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 22.7 mttm -99.72 13.41 33.74 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.963 -179.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 8.4 t -91.64 -16.71 26.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.679 0.276 . . . . 0.0 110.943 179.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -78.71 160.64 27.37 Favored 'General case' 0 N--CA 1.457 -0.121 0 CA-C-O 121.101 0.476 . . . . 0.0 112.028 -179.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 36.3 mtp180 -109.67 -3.15 17.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.503 -0.772 . . . . 0.0 111.103 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . 0.412 ' HB2' ' CE1' ' A' ' 110' ' ' TYR . 12.9 p80 -131.35 166.59 20.91 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.068 0.461 . . . . 0.0 111.574 -178.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 70.2 mt -120.11 85.33 2.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.052 178.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.412 ' CE1' ' HB2' ' A' ' 108' ' ' HIS . 85.1 m-85 -142.87 130.59 21.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.312 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 34.1 pt -111.42 167.78 5.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.949 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 25.5 p -90.45 164.38 14.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.598 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -62.29 -29.27 70.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.082 0.467 . . . . 0.0 110.295 179.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -56.88 -61.91 2.11 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.353 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 30.8 m170 -71.62 -30.62 65.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.644 -179.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 10.4 ttpp -59.13 -53.32 59.68 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.11 0.481 . . . . 0.0 110.397 179.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -67.63 -40.23 84.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.025 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.41 HD23 ' O ' ' A' ' 118' ' ' LEU . 6.2 tt -62.05 -37.73 86.08 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.03 -179.05 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.873 HG21 HG23 ' A' ' 89' ' ' ILE . 84.5 mt -85.69 -41.34 15.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 -178.009 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -63.65 -46.15 86.95 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 -177.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 56.1 p -90.08 47.5 1.46 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 114.502 1.297 . . . . 0.0 114.502 -175.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 93.7 t -121.65 -40.83 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 177.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.571 ' HD3' ' HA ' ' A' ' 92' ' ' SER . 6.9 mtp85 -93.87 -0.3 55.8 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.168 177.083 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -128.44 109.86 11.79 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -163.16 101.79 0.97 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.002 0.429 . . . . 0.0 111.724 -179.382 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -142.61 169.11 18.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.861 178.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.91 93.33 2.32 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.791 0.329 . . . . 0.0 111.216 179.601 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 47.83 -167.67 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.729 179.159 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 21.2 tttm -151.65 -81.27 0.1 Allowed 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.202 179.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 158.65 127.66 0.94 Allowed Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.599 -0.81 . . . . 0.0 112.356 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 93.5 p . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.197 -0.906 . . . . 0.0 110.678 179.874 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 9.1 p . . . . . 0 N--CA 1.485 1.29 0 CA-C-O 121.14 0.495 . . . . 0.0 111.833 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -133.79 111.81 10.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.611 178.213 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -141.34 29.57 1.79 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.59 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -145.39 59.96 0.5 Allowed Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 121.047 -0.597 . . . . 0.0 111.927 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.418 ' O ' ' HA ' ' A' ' 79' ' ' ALA . 0.0 OUTLIER -107.95 176.96 4.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.845 0.355 . . . . 0.0 111.112 -179.389 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 26.9 mt -106.91 150.76 26.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.778 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 42.8 t -55.06 160.61 1.99 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.817 179.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 17.3 p -120.41 26.14 9.37 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.684 0.278 . . . . 0.0 111.722 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 64.7 mt -111.59 164.78 12.62 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 178.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 21.6 mtp85 -134.51 129.84 35.73 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.837 0.351 . . . . 0.0 110.875 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.405 ' O ' ' HB2' ' A' ' 74' ' ' GLU . 4.7 tt0 -105.41 107.51 18.53 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.945 179.228 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 59.16 50.81 7.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.676 -179.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 66.14 9.6 48.77 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.837 -0.697 . . . . 0.0 113.033 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' A' ' 71' ' ' GLU . 33.0 mm-40 -112.79 125.03 53.89 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 121.011 0.434 . . . . 0.0 110.769 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.35 133.15 55.52 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.76 -0.654 . . . . 0.0 112.065 -178.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 42.4 t -56.84 -53.5 57.19 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.763 179.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 73.56 -11.77 5.24 Favored Glycine 0 CA--C 1.521 0.41 0 CA-C-N 115.944 -0.571 . . . . 0.0 113.618 179.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.4 ' CZ ' ' HB2' ' A' ' 114' ' ' TYR . 38.2 ttt85 -73.05 143.23 47.56 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 117.114 0.457 . . . . 0.0 109.955 -179.388 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.418 ' HA ' ' O ' ' A' ' 65' ' ' GLN . . . -53.1 148.24 8.43 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.588 -179.43 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.63 157.13 35.9 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.867 178.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -114.35 -135.26 5.97 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.157 -1.021 . . . . 0.0 113.947 -178.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -111.81 15.34 20.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.463 -0.369 . . . . 0.0 111.785 -178.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -106.75 176.42 5.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.024 0.44 . . . . 0.0 111.597 -179.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 48.2 m -145.97 141.21 27.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.839 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -66.48 113.54 4.79 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.728 179.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 97.8 p -118.93 -172.23 2.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.991 0.424 . . . . 0.0 111.612 -179.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.67 -41.59 45.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.502 179.032 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -57.06 -50.7 71.95 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.106 179.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.924 HG23 HG21 ' A' ' 119' ' ' ILE . 63.2 mt -58.76 -40.92 81.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.832 179.078 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 18.7 tm0? -56.36 -46.56 79.94 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 121.548 0.689 . . . . 0.0 109.25 178.429 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp -63.8 -45.58 89.0 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 114.73 -1.123 . . . . 0.0 110.113 179.155 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 41.6 m -56.91 -36.96 70.78 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.277 179.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 93.9 mt -70.9 -48.1 58.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.215 179.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 32.6 t -52.17 -39.39 60.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.059 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -68.61 -41.74 79.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.09 0.472 . . . . 0.0 109.881 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.825 ' HE3' HG21 ' A' ' 122' ' ' VAL . 61.0 mttp -60.06 -40.0 87.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.583 179.192 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.421 ' HB2' ' O ' ' A' ' 96' ' ' LYS . 1.8 mmtm 68.0 58.91 0.46 Allowed 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.326 -178.053 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.412 HG13 ' HB3' ' A' ' 96' ' ' LYS . 31.1 m -115.59 170.61 5.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.602 -179.082 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.0 mmtm -91.64 40.9 1.05 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.711 -179.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 31.0 mt -113.71 118.61 58.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.921 0.391 . . . . 0.0 110.16 178.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -134.91 173.04 12.16 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.414 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.437 ' HG ' ' N ' ' A' ' 103' ' ' ASP . 1.2 tp -88.7 136.02 33.21 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.38 0.61 . . . . 0.0 112.118 -179.523 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.437 ' N ' ' HG ' ' A' ' 102' ' ' LEU . 23.9 t0 -80.16 135.73 36.36 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 177.336 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 16.4 mttm -93.07 -22.47 19.1 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.35 -179.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 34.4 t -73.95 -4.37 34.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.581 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.92 -165.91 0.02 OUTLIER 'General case' 0 CA--C 1.522 -0.104 0 CA-C-O 121.241 0.543 . . . . 0.0 111.69 -179.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.8 ttp180 -128.82 -35.31 1.89 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.379 -179.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 14.6 p80 -132.34 174.71 9.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.114 0.483 . . . . 0.0 111.724 -178.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 32.3 mt -110.86 73.32 0.82 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.476 179.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -133.4 120.89 21.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.237 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 34.1 pt -100.14 160.02 3.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.986 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 7.6 p -76.0 160.19 30.09 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.501 179.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -62.63 -33.72 75.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.085 0.469 . . . . 0.0 110.435 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.4 ' HB2' ' CZ ' ' A' ' 78' ' ' ARG . 64.3 t80 -53.51 -61.57 2.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.213 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 19.5 m170 -64.29 -31.08 72.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.577 -179.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 11.9 ttpp -62.52 -52.96 61.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.947 0.403 . . . . 0.0 110.479 179.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -64.99 -30.19 71.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.0 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.452 HD23 ' O ' ' A' ' 118' ' ' LEU . 5.2 tt -74.72 -42.67 57.89 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.747 -179.721 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.924 HG21 HG23 ' A' ' 89' ' ' ILE . 82.4 mt -79.11 -37.21 19.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 113.275 0.842 . . . . 0.0 113.275 -177.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -71.37 -28.4 64.01 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 -178.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 59.4 p -85.96 21.04 2.05 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 114.478 1.288 . . . . 0.0 114.478 -176.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.825 HG21 ' HE3' ' A' ' 96' ' ' LYS . 65.5 t -118.05 -33.03 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.673 178.39 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 8.2 mtp180 -116.68 39.37 3.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.205 0.526 . . . . 0.0 109.662 178.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -149.99 87.11 1.46 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.124 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 3.8 ttt-85 -141.98 127.31 18.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.166 0.508 . . . . 0.0 111.735 -179.161 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -130.41 162.33 29.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.12 179.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.62 94.85 4.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.896 0.379 . . . . 0.0 111.105 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 14.2 mmt-85 63.47 175.4 0.16 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.323 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 49.0 tttm -169.44 -70.36 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.868 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -165.22 127.05 1.57 Allowed Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.329 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 5.4 p . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.308 -0.853 . . . . 0.0 110.811 179.866 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.485 1.275 0 CA-C-O 121.122 0.487 . . . . 0.0 111.637 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 60.8 70.83 0.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.559 -179.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -149.29 22.1 0.94 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.04 178.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -89.22 22.23 24.21 Favored Glycine 0 C--N 1.335 0.482 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.619 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -100.72 170.83 8.08 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -111.51 154.76 24.29 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.099 0.476 . . . . 0.0 111.655 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 44.8 t -48.33 143.44 4.72 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.122 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 23.6 p -104.97 33.13 3.77 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.922 0.391 . . . . 0.0 111.399 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 35.6 mt -129.79 149.56 51.47 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.678 178.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 64.2 mtp180 -115.06 114.13 24.96 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.77 0.319 . . . . 0.0 111.072 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 77.3 tt0 -91.47 106.09 18.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.106 179.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 57.98 43.46 21.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.923 -179.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 87.02 -22.84 12.52 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.766 -0.731 . . . . 0.0 113.302 179.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -83.6 130.24 34.98 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 117.259 0.53 . . . . 0.0 111.542 -179.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 77' ' ' GLY . 10.3 tpp180 -74.68 60.42 0.91 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.083 -179.398 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 7.0 t 44.61 -82.94 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 179.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 115.37 -31.97 5.95 Favored Glycine 0 C--N 1.332 0.319 0 C-N-CA 120.616 -0.802 . . . . 0.0 111.829 -178.668 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 62.2 ttt-85 -76.09 144.53 40.65 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 179.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.4 151.27 45.37 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.012 0.434 . . . . 0.0 111.734 -178.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.56 159.13 19.38 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.675 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -125.28 -136.5 4.55 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.178 -1.01 . . . . 0.0 114.068 -178.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -97.93 -15.8 19.99 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -178.154 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -79.99 169.82 17.33 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.854 0.359 . . . . 0.0 111.446 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.1 p -134.33 -166.62 1.83 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.191 179.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -121.31 131.97 54.51 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.837 179.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 47.4 p -136.54 -168.21 2.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.18 0.514 . . . . 0.0 111.611 -179.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.89 -44.4 40.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.245 179.453 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? -52.23 -47.0 65.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.208 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.608 HG23 HG21 ' A' ' 119' ' ' ILE . 29.7 mt -66.78 -33.55 64.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.348 179.464 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -63.08 -42.38 99.61 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-O 121.344 0.593 . . . . 0.0 109.64 178.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.16 -33.6 67.85 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.831 179.42 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 19.8 m -63.41 -34.99 78.95 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.687 178.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 71.6 mt -78.21 -45.37 26.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.921 178.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 38.9 t -52.14 -43.35 63.98 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.094 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 30.9 tp60 -69.84 -36.53 75.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.89 0.376 . . . . 0.0 110.154 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.555 ' HE3' HG21 ' A' ' 122' ' ' VAL . 41.3 mttp -66.57 -46.22 76.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.233 178.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.405 ' HB2' ' O ' ' A' ' 96' ' ' LYS . 6.5 mmtp 67.88 75.73 0.28 Allowed 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.703 -178.284 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 35.5 m -130.22 166.59 27.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.957 -179.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 20.6 mttp -80.59 68.95 6.99 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.96 0.409 . . . . 0.0 111.422 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 68.4 mt -137.31 109.14 6.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.379 179.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.05 151.72 41.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.853 0.359 . . . . 0.0 110.497 179.473 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.49 127.81 32.69 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.129 0.49 . . . . 0.0 112.258 -179.008 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -64.55 145.41 56.18 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 177.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 22.1 mmtm -98.43 -41.07 7.97 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.853 0.359 . . . . 0.0 111.073 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 76.5 p -54.65 -29.86 53.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.075 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -47.79 152.99 0.66 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.699 -179.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -120.66 24.92 10.04 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.267 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 12.8 p80 -165.98 156.88 13.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.283 -178.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 95.8 mt -116.81 73.1 0.85 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.46 179.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -132.24 109.4 9.89 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.954 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 49.2 pt -92.18 164.19 2.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.911 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 7.3 p -84.02 161.4 20.74 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.474 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.47 -35.55 76.16 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.994 0.426 . . . . 0.0 110.547 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 56.4 t80 -49.81 -62.37 1.6 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.773 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 18.7 m80 -64.49 -28.81 69.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.514 -179.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 7.9 ttpp -61.8 -54.35 43.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.946 0.403 . . . . 0.0 110.444 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -66.4 -42.09 88.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.794 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.551 HD23 ' O ' ' A' ' 118' ' ' LEU . 4.5 tt -60.94 -41.72 96.81 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.709 -179.089 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.608 HG21 HG23 ' A' ' 89' ' ' ILE . 78.8 mt -82.0 -52.72 13.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 -178.046 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -57.35 -26.17 60.57 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.252 0.834 . . . . 0.0 113.252 -178.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 4.9 m -110.78 62.3 0.61 Allowed 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 114.824 1.416 . . . . 0.0 114.824 -176.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.555 HG21 ' HE3' ' A' ' 96' ' ' LYS . 55.3 t -132.28 -46.6 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 177.279 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 13.4 mtp-105 -130.2 27.66 5.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.63 177.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -153.12 105.32 2.89 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.955 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 18.5 mtm-85 -84.71 -171.37 3.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.002 0.43 . . . . 0.0 111.51 -179.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 11.7 ttt180 -131.54 103.98 6.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.641 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 5.9 tttp 61.67 -143.34 0.44 Allowed 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 -139.63 -45.98 0.45 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.077 0.465 . . . . 0.0 109.771 177.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 2.2 ttpp 55.51 -85.62 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.201 178.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 142.86 -77.54 0.28 Allowed Glycine 0 C--N 1.333 0.401 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.282 -178.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.27 -0.871 . . . . 0.0 111.082 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.0 m . . . . . 0 N--CA 1.486 1.358 0 N-CA-C 111.559 0.207 . . . . 0.0 111.559 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -113.65 44.44 1.6 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.332 0.587 . . . . 0.0 111.08 179.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -148.68 36.33 0.79 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.776 179.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -157.41 54.04 0.39 Allowed Glycine 0 N--CA 1.45 -0.431 0 CA-C-N 115.571 -0.741 . . . . 0.0 112.069 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -62.62 180.0 0.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.917 0.389 . . . . 0.0 110.867 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.2 mp -120.25 149.06 42.89 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.618 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.429 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 53.9 t -54.31 151.63 7.23 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.217 -179.512 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 71.7 m -121.26 30.78 6.63 Favored 'General case' 0 CA--C 1.529 0.156 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -178.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 73.7 mt -114.18 155.38 26.19 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 178.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.441 ' O ' ' HA ' ' A' ' 100' ' ' ILE . 7.2 mtp180 -125.35 140.62 52.65 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.758 0.313 . . . . 0.0 110.848 -179.599 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.415 ' HG2' ' OD1' ' A' ' 72' ' ' ASP . 17.8 tt0 -116.53 110.05 18.06 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.025 179.476 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.415 ' OD1' ' HG2' ' A' ' 71' ' ' GLU . 4.4 m-20 64.11 35.54 10.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.005 0.431 . . . . 0.0 110.282 -179.128 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 83.42 -5.29 78.27 Favored Glycine 0 CA--C 1.52 0.404 0 C-N-CA 120.892 -0.671 . . . . 0.0 112.903 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -104.36 133.89 48.5 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-O 120.957 0.408 . . . . 0.0 111.225 -179.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.48 173.55 0.38 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.082 -179.426 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.429 ' HB3' ' HB3' ' A' ' 67' ' ' CYS . 37.8 t -92.61 -60.9 1.71 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.366 179.073 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 95.14 -35.55 4.21 Favored Glycine 0 C--N 1.331 0.266 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.905 179.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 20.9 ttt180 -58.39 146.15 35.81 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 179.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.1 145.98 54.76 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.909 0.385 . . . . 0.0 111.395 -179.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.25 159.15 4.75 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.227 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -117.23 -146.65 8.38 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.616 -0.802 . . . . 0.0 113.713 -179.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -103.99 0.29 29.76 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -178.58 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -96.6 169.69 9.72 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.949 0.404 . . . . 0.0 111.268 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 82.9 p -130.32 157.92 41.23 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.795 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -83.69 97.48 9.13 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.715 179.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 52.1 p -102.66 -173.13 2.25 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.682 -178.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.402 ' HG2' ' H ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -76.1 -38.35 57.05 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.968 178.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -52.42 -45.03 65.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.161 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.471 HG23 HG21 ' A' ' 119' ' ' ILE . 25.4 mt -68.08 -39.77 81.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.062 179.204 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -55.09 -50.85 68.13 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.515 178.581 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.0 tptp -58.99 -50.52 73.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.337 178.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.43 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 43.8 t -48.93 -44.53 40.58 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.242 179.593 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 82.0 mt -65.82 -46.04 89.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.312 179.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 69.6 m -55.04 -38.31 67.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.209 -179.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -69.1 -40.16 78.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.916 0.388 . . . . 0.0 110.053 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.53 ' HZ3' HG11 ' A' ' 122' ' ' VAL . 12.2 mtpp -73.54 -28.72 62.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.624 178.412 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 15.8 tptt 53.65 74.86 0.29 Allowed 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.631 -179.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 18.6 m -122.86 175.75 5.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.359 -179.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 55.7 mttm -92.32 55.44 2.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.255 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.441 ' HA ' ' O ' ' A' ' 70' ' ' ARG . 69.3 mt -119.7 118.21 56.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.433 179.161 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -130.77 176.58 8.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.053 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -101.32 125.91 48.01 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.911 -178.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 61.8 t0 -67.76 121.75 16.62 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 178.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.411 ' HB3' ' NZ ' ' A' ' 104' ' ' LYS . 0.3 OUTLIER -80.1 -18.77 49.05 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -178.675 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 75.7 m -68.56 -10.56 56.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.766 -0.197 . . . . 0.0 111.471 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -78.66 -176.16 4.74 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-O 121.015 0.436 . . . . 0.0 112.037 -179.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -130.7 -43.84 1.1 Allowed 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.928 179.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 34.1 p80 -91.81 175.85 6.74 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.651 -179.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 6.3 mt -133.23 79.73 1.85 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.942 179.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -145.64 103.9 3.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.274 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 32.0 pt -79.15 169.4 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.985 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 20.0 p -81.93 169.35 16.89 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.484 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.15 -37.46 81.06 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.095 0.474 . . . . 0.0 110.303 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 79.8 t80 -52.2 -61.19 2.43 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.398 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 8.9 m170 -60.33 -41.87 94.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.683 -179.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 6.6 ttpp -52.72 -53.68 44.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.018 0.437 . . . . 0.0 110.734 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -64.45 -36.29 83.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.085 -179.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.446 HD23 ' O ' ' A' ' 118' ' ' LEU . 5.3 tt -62.34 -48.24 80.7 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.871 -179.132 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.471 HG21 HG23 ' A' ' 89' ' ' ILE . 56.4 mt -80.47 -40.15 19.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -177.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -66.24 -38.83 88.81 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.666 0.987 . . . . 0.0 113.666 -177.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 28.9 p -74.61 7.27 3.11 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 -176.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.53 HG11 ' HZ3' ' A' ' 96' ' ' LYS . 58.6 t -115.34 143.97 23.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 O-C-N 121.986 -0.446 . . . . 0.0 110.686 178.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 47.23 25.9 0.61 Allowed 'General case' 0 N--CA 1.454 -0.254 0 CA-C-O 120.984 0.421 . . . . 0.0 111.365 -178.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -157.56 19.93 0.28 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.943 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.408 ' O ' ' N ' ' A' ' 127' ' ' LYS . 42.9 ttt85 -94.51 25.45 3.93 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.825 0.345 . . . . 0.0 111.163 -178.744 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 20.3 ttp180 60.98 -79.13 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.063 179.347 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 125' ' ' ARG . 22.3 mtpp 57.96 82.89 0.12 Allowed 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.39 -168.83 1.7 Allowed 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 177.667 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 10.6 mmtt -93.9 177.25 6.05 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.268 0.556 . . . . 0.0 111.664 -179.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -117.78 37.77 3.17 Favored Glycine 0 N--CA 1.449 -0.493 0 CA-C-N 115.476 -0.783 . . . . 0.0 111.447 178.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.187 -0.911 . . . . 0.0 110.758 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 67.9 m . . . . . 0 N--CA 1.48 1.043 0 N-CA-C 111.296 0.11 . . . . 0.0 111.296 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.9 m120 -93.76 26.67 3.02 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.119 0.485 . . . . 0.0 109.907 177.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -157.56 19.61 0.28 Allowed 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.243 178.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -139.93 64.62 0.53 Allowed Glycine 0 C--N 1.335 0.525 0 N-CA-C 111.665 -0.574 . . . . 0.0 111.665 -179.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -109.63 -165.43 1.01 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.786 0.327 . . . . 0.0 110.293 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.781 HD12 ' HA ' ' A' ' 79' ' ' ALA . 1.3 tp -118.35 159.87 22.65 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.046 0.45 . . . . 0.0 111.929 179.637 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 42.7 t -67.96 140.45 56.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.899 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 91.5 m -108.15 41.07 1.62 Allowed 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -178.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.53 HD11 HG21 ' A' ' 111' ' ' ILE . 80.2 mt -130.69 154.62 47.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.866 0.365 . . . . 0.0 110.607 177.776 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 45.6 mtp85 -119.53 118.28 30.62 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.867 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -90.24 126.46 35.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.823 0.344 . . . . 0.0 110.258 179.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 54.0 27.7 7.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.578 -179.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 89.22 -4.59 84.46 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.776 -0.726 . . . . 0.0 113.099 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -111.41 143.34 42.39 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.039 0.447 . . . . 0.0 111.575 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.6 tpp85 -53.07 161.51 0.81 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.601 -0.727 . . . . 0.0 112.1 -178.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 24.0 t -79.09 -67.99 0.7 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.461 179.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 102.16 -22.25 38.62 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.531 -0.842 . . . . 0.0 112.624 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 55.5 ttt85 -83.38 135.36 34.73 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.781 ' HA ' HD12 ' A' ' 66' ' ' LEU . . . -57.89 154.12 12.81 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.071 0.463 . . . . 0.0 111.536 -178.665 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.45 149.15 44.47 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.713 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -104.38 -114.03 3.9 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.771 -0.728 . . . . 0.0 113.498 -179.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -125.74 -28.48 3.24 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -178.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.98 176.7 0.19 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.133 0.492 . . . . 0.0 111.891 -179.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 60.7 p -144.0 141.53 30.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.937 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -70.11 94.02 0.86 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.856 179.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 92.0 p -97.55 -168.67 1.72 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.789 -178.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.3 mtmp? -78.02 -40.26 39.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.828 179.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.4 -38.58 74.52 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.612 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.529 HG23 HG21 ' A' ' 119' ' ' ILE . 40.1 mt -69.58 -34.79 63.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.237 179.321 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -66.36 -45.14 81.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.759 178.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.86 -45.61 91.78 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.945 178.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.3 m -56.86 -47.69 79.8 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.095 179.092 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.423 HG23 ' CG2' ' A' ' 98' ' ' VAL . 85.6 mt -60.23 -40.87 84.96 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.862 178.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.35 -45.55 91.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.967 -179.727 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.447 ' OE1' ' HA ' ' A' ' 95' ' ' GLN . 5.9 tp60 -64.3 -37.39 87.31 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.991 0.424 . . . . 0.0 109.935 179.541 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.462 ' HE2' ' CB ' ' A' ' 122' ' ' VAL . 6.1 mtpm? -70.51 -35.82 73.43 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 178.343 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 61.06 81.4 0.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.063 -0.971 . . . . 0.0 109.578 -178.444 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.423 ' CG2' HG23 ' A' ' 93' ' ' ILE . 28.8 m -133.66 174.09 13.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.112 -179.056 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 32.8 mttm -96.47 65.73 2.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.406 -179.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 60.0 mt -133.49 109.18 13.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.26 179.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -127.8 168.49 15.08 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.054 0.454 . . . . 0.0 110.748 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 31.2 tp -83.19 138.08 33.78 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.328 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -79.65 143.56 34.54 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.536 -0.912 . . . . 0.0 108.536 179.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -97.79 -2.64 40.6 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 -178.536 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 56.7 m -87.91 -14.52 39.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.692 0.282 . . . . 0.0 111.105 179.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -68.6 -158.37 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.986 0.422 . . . . 0.0 111.811 -179.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -147.56 -37.38 0.2 Allowed 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.151 -179.534 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 8.0 p80 -114.86 170.65 8.18 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 116.141 -0.482 . . . . 0.0 112.027 -179.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 58.9 mt -116.4 72.2 0.81 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.01 178.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -131.31 96.17 3.95 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.041 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.53 HG21 HD11 ' A' ' 69' ' ' LEU . 32.1 pt -79.74 174.66 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.96 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 24.9 p -86.74 175.69 8.12 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.301 179.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -73.18 -34.81 66.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.057 0.456 . . . . 0.0 110.243 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -51.62 -61.07 2.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.432 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 21.5 m170 -65.72 -31.73 72.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.779 -179.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 10.9 ttpp -60.12 -54.25 48.18 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.978 0.418 . . . . 0.0 110.802 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -70.04 -37.88 75.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.599 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.626 HD23 ' O ' ' A' ' 118' ' ' LEU . 5.6 tt -59.77 -44.17 94.0 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.796 -179.277 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.529 HG21 HG23 ' A' ' 89' ' ' ILE . 71.5 mt -83.07 -41.6 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 113.345 0.869 . . . . 0.0 113.345 -177.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -63.9 -35.23 79.97 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 113.458 0.91 . . . . 0.0 113.458 -178.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 86.2 p -96.53 34.48 1.64 Allowed 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 -175.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.462 ' CB ' ' HE2' ' A' ' 96' ' ' LYS . 64.4 t -125.71 135.57 63.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.335 178.129 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 19.8 mtm-85 46.64 46.23 14.61 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-O 121.166 0.508 . . . . 0.0 111.384 -178.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -146.84 104.6 3.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.216 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 33.9 mtm180 -72.94 -25.64 61.1 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.791 0.329 . . . . 0.0 111.213 -179.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 6.9 ttp85 50.13 -123.06 1.94 Allowed 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 1.2 tttm 75.15 -2.5 2.82 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 118.899 0.772 . . . . 0.0 111.735 179.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.31 160.69 19.05 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 179.069 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.74 -26.54 2.44 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.56 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -178.36 155.77 17.57 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.987 -0.625 . . . . 0.0 111.662 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.2 m . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.139 -0.934 . . . . 0.0 110.508 -179.998 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 121.15 0.5 . . . . 0.0 111.519 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -92.12 25.71 2.77 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.564 179.267 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -137.91 29.73 2.55 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.244 178.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -156.22 67.53 0.29 Allowed Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.859 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -60.41 -174.82 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.898 0.38 . . . . 0.0 111.108 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.59 147.53 43.63 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.25 0.548 . . . . 0.0 111.936 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.418 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 45.1 t -48.51 158.74 0.26 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.331 -0.849 . . . . 0.0 111.37 -179.599 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 84.4 m -132.86 28.37 4.21 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.695 -179.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.506 HD11 HG21 ' A' ' 111' ' ' ILE . 54.9 mt -114.07 167.01 11.04 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 178.739 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 44.2 mtp85 -129.6 137.1 50.52 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.957 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -113.31 104.29 12.17 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.929 179.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 72.37 37.52 0.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.284 -178.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 80.88 0.77 88.98 Favored Glycine 0 N--CA 1.448 -0.53 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.969 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -114.19 152.79 30.67 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.348 0.594 . . . . 0.0 112.117 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.96 169.19 5.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.03 -0.986 . . . . 0.0 111.963 -178.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.418 ' HB3' ' HB3' ' A' ' 67' ' ' CYS . 24.2 t -94.51 -73.61 0.57 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.502 179.506 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.93 -30.64 8.79 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 120.425 -0.893 . . . . 0.0 112.868 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.44 ' NH1' ' HB2' ' A' ' 114' ' ' TYR . 22.3 ttt180 -66.61 134.71 52.88 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 179.567 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.09 156.17 5.77 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.941 0.4 . . . . 0.0 111.58 -178.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.14 155.09 37.38 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.38 -179.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -112.25 -129.34 5.24 Favored Glycine 0 C--N 1.332 0.355 0 C-N-CA 120.707 -0.759 . . . . 0.0 113.744 -179.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 23.8 p30 -106.57 -19.03 13.79 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -178.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -77.33 170.0 17.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.135 0.493 . . . . 0.0 111.856 -179.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -138.21 156.84 47.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.387 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -80.02 87.29 5.42 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.811 -0.441 . . . . 0.0 109.811 179.091 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 66.9 p -96.28 -169.71 1.96 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.049 -179.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.8 mppp? -78.08 -39.38 41.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.416 178.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.6 tmm_? -53.37 -47.59 69.3 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.798 0.332 . . . . 0.0 110.142 179.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.618 HG23 HG21 ' A' ' 119' ' ' ILE . 23.4 mt -65.96 -39.86 85.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.033 179.221 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.8 -53.52 57.42 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.022 0.439 . . . . 0.0 110.167 179.396 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.29 -35.73 76.24 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.22 179.589 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.526 ' HA ' ' HG3' ' A' ' 123' ' ' ARG . 36.1 m -60.32 -52.24 66.11 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.795 178.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 89' ' ' ILE . 82.5 mt -57.29 -40.86 76.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.267 179.071 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.412 ' O ' ' HG2' ' A' ' 97' ' ' LYS . 2.8 m -60.53 -33.91 73.34 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.234 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.63 -32.29 63.97 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.337 179.194 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.616 ' HE2' HG21 ' A' ' 122' ' ' VAL . 1.6 mtpm? -77.63 -33.06 53.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.835 178.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.412 ' HG2' ' O ' ' A' ' 94' ' ' SER . 30.3 mmtt 57.14 71.44 0.58 Allowed 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.248 -178.355 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 31.6 m -125.31 170.76 14.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.395 -179.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 7.8 mmtp -82.95 56.38 3.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.422 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 42.6 mt -132.16 117.97 34.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.414 179.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -141.89 166.15 25.52 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.726 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.87 131.95 34.2 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.751 -179.501 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -79.7 147.04 32.11 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 177.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -92.3 -14.68 28.46 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -178.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.4 p -71.99 -31.02 65.84 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.748 0.309 . . . . 0.0 111.277 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -49.06 131.78 19.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.155 0.503 . . . . 0.0 111.556 -179.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 18.4 ttp180 -75.11 -17.41 60.44 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.043 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 26.2 p80 -146.14 -177.33 5.55 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.977 0.418 . . . . 0.0 111.154 -179.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 94.0 mt -103.74 -127.36 0.23 Allowed 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 178.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 57.25 115.12 0.01 OUTLIER 'General case' 0 C--N 1.339 0.14 0 CA-C-O 121.278 0.561 . . . . 0.0 111.702 179.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.506 HG21 HD11 ' A' ' 69' ' ' LEU . 33.7 pt -102.02 164.75 3.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.475 179.409 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 13.7 p -71.89 159.23 34.63 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.629 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.61 -29.64 69.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.076 0.465 . . . . 0.0 110.246 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.44 ' HB2' ' NH1' ' A' ' 78' ' ' ARG . 33.1 t80 -58.47 -62.14 2.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.498 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 10.8 m80 -61.12 -39.17 89.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.591 -179.102 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 6.3 ttpp -54.42 -53.42 54.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.046 0.45 . . . . 0.0 110.627 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -65.89 -33.78 76.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.163 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.449 HD23 ' O ' ' A' ' 118' ' ' LEU . 5.5 tt -67.18 -39.8 86.49 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.615 -179.291 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.618 HG21 HG23 ' A' ' 89' ' ' ILE . 73.4 mt -85.24 -42.94 16.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -178.071 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -60.52 -34.83 74.69 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -178.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 21.5 t -77.4 48.96 0.68 Allowed 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 114.395 1.257 . . . . 0.0 114.395 -176.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.616 HG21 ' HE2' ' A' ' 96' ' ' LYS . 72.3 t -153.23 -44.43 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.957 0.408 . . . . 0.0 109.98 178.067 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.526 ' HG3' ' HA ' ' A' ' 92' ' ' SER . 9.1 mmm-85 -98.15 36.9 1.5 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.486 178.387 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -158.08 24.95 0.26 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.604 -179.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -80.69 -161.47 0.39 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.558 -179.073 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 38.3 ttt180 65.86 85.48 0.14 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.744 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -149.68 -177.1 5.69 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.804 -179.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 5.1 ptp85 -93.68 163.46 13.53 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 177.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.431 ' HG2' ' N ' ' A' ' 130' ' ' GLY . 0.0 OUTLIER -96.85 -28.85 14.05 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.031 0.443 . . . . 0.0 110.609 -179.633 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . 0.431 ' N ' ' HG2' ' A' ' 129' ' ' LYS . . . 131.88 70.25 0.09 OUTLIER Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.285 -179.667 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 4.3 m . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.688 179.618 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.416 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 2.5 p . . . . . 0 N--CA 1.484 1.261 0 N-CA-C 110.452 -0.203 . . . . 0.0 110.452 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.416 ' ND2' ' O ' ' A' ' 61' ' ' SER . 1.7 m-80 -161.47 79.16 0.57 Allowed 'General case' 0 CA--C 1.521 -0.17 0 CA-C-O 121.288 0.566 . . . . 0.0 110.741 179.305 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -141.29 28.63 1.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.695 179.116 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -138.74 44.46 1.1 Allowed Glycine 0 N--CA 1.45 -0.411 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.754 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -92.43 -172.01 2.95 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.771 0.32 . . . . 0.0 110.414 -179.59 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.445 ' HA ' ' HA ' ' A' ' 79' ' ' ALA . 3.9 mp -111.12 140.88 45.3 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.273 0.558 . . . . 0.0 111.859 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.434 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 35.2 t -39.94 158.08 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.115 -0.948 . . . . 0.0 111.631 -179.674 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 29.6 p -125.0 39.4 3.99 Favored 'General case' 0 CA--C 1.529 0.144 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 -179.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 54.2 mt -130.44 139.73 50.57 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 178.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 43.9 mtp180 -110.85 126.39 54.61 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.894 0.378 . . . . 0.0 111.092 -179.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -102.62 108.5 19.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.806 178.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 64.88 35.63 8.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.399 -179.007 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 81.64 -6.13 66.58 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 121.007 -0.616 . . . . 0.0 113.087 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -101.48 131.76 47.45 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.058 0.456 . . . . 0.0 111.257 -179.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.9 tpp85 -65.18 140.92 58.81 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.996 -178.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.434 ' HB3' ' HB3' ' A' ' 67' ' ' CYS . 7.7 t -56.62 -62.58 1.63 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.644 179.625 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 99.4 -48.01 1.3 Allowed Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.674 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 35.5 ttt-85 -53.84 136.04 41.01 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.445 ' HA ' ' HA ' ' A' ' 66' ' ' LEU . . . -54.62 151.38 8.14 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.815 0.34 . . . . 0.0 111.525 -178.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.51 169.11 1.86 Allowed 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.481 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.415 ' N ' ' HA ' ' A' ' 112' ' ' CYS . . . -127.11 -155.44 8.84 Favored Glycine 0 C--N 1.335 0.478 0 C-N-CA 120.596 -0.811 . . . . 0.0 113.595 -179.249 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -94.59 27.25 3.09 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 112.13 0.419 . . . . 0.0 112.13 -178.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -126.83 148.05 49.99 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.888 0.375 . . . . 0.0 111.625 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 43.4 p -115.89 142.89 46.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.595 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -66.32 121.71 15.85 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.674 178.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 80.2 p -127.37 -166.17 1.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.872 0.367 . . . . 0.0 111.35 -178.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 20.6 mttp -77.22 -41.4 41.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.396 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.412 ' HD2' ' N ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -52.66 -55.99 18.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.111 179.35 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.958 HG23 HG21 ' A' ' 119' ' ' ILE . 60.1 mt -53.74 -43.73 56.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.081 179.401 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 8.4 tm0? -56.51 -48.43 77.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.931 178.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.416 ' HE3' ' NH1' ' A' ' 123' ' ' ARG . 0.0 OUTLIER -59.35 -46.48 88.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.651 179.324 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.405 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 7.1 t -52.35 -50.72 61.8 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.813 178.707 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.41 HG23 ' CG2' ' A' ' 98' ' ' VAL . 72.6 mt -57.01 -41.02 76.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.234 178.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 16.3 t -62.16 -41.8 98.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.21 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -71.67 -41.65 68.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.901 0.381 . . . . 0.0 110.155 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.615 ' CE ' HG21 ' A' ' 122' ' ' VAL . 5.2 mtpm? -66.06 -41.22 91.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.032 178.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 12.9 mttm 70.46 74.91 0.21 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.386 -0.824 . . . . 0.0 109.629 -178.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.41 ' CG2' HG23 ' A' ' 93' ' ' ILE . 18.2 m -132.38 166.2 29.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.303 -179.191 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 15.6 mmtm -86.45 55.38 3.53 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.489 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 50.3 mt -118.63 104.46 16.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.907 0.384 . . . . 0.0 110.404 179.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -127.82 154.82 44.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.456 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.61 139.16 40.52 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.901 -179.236 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -82.03 144.06 31.11 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 178.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.52 -22.2 20.5 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -178.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.5 p -60.8 -38.63 86.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.845 0.355 . . . . 0.0 111.124 -179.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -59.22 -170.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.682 -179.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -141.61 -50.06 0.4 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.347 -179.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . 0.414 ' HB2' ' CE2' ' A' ' 110' ' ' TYR . 18.3 p80 -80.95 174.24 11.82 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.272 -179.07 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 109' ' ' LEU . 29.9 mt -129.47 82.33 2.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.238 178.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.414 ' CE2' ' HB2' ' A' ' 108' ' ' HIS . 86.5 m-85 -141.03 113.5 8.11 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.761 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 43.7 pt -97.98 154.06 3.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.112 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . 0.415 ' HA ' ' N ' ' A' ' 81' ' ' GLY . 7.0 p -67.95 161.88 25.55 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.623 179.533 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.35 -38.12 85.8 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.08 0.467 . . . . 0.0 110.332 179.703 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -48.84 -59.43 3.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.451 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -64.16 -33.59 76.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.843 -179.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 16.2 ttpp -59.14 -53.0 63.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.061 0.458 . . . . 0.0 110.491 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -67.31 -37.46 83.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.092 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.526 HD23 ' O ' ' A' ' 118' ' ' LEU . 4.6 tt -64.4 -44.11 92.32 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.655 -179.274 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.958 HG21 HG23 ' A' ' 89' ' ' ILE . 60.0 mt -81.47 -45.04 20.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 -178.321 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -62.35 -32.77 73.6 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -178.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.512 ' O ' HG23 ' A' ' 122' ' ' VAL . 74.2 m -105.53 80.29 1.55 Allowed 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 -176.696 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.615 HG21 ' CE ' ' A' ' 96' ' ' LYS . 64.5 t -157.13 -36.33 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.632 178.223 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.416 ' NH1' ' HE3' ' A' ' 91' ' ' LYS . 7.0 mtm180 -88.52 41.33 1.01 Allowed 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 120.913 0.387 . . . . 0.0 110.122 177.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -134.0 96.32 3.62 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 14.8 ttp180 -124.46 111.41 15.69 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.231 0.539 . . . . 0.0 111.374 -178.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 12.1 ttt85 -171.71 156.57 4.35 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.506 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.94 139.43 52.59 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.109 0.48 . . . . 0.0 111.644 -179.084 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.7 150.79 26.51 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.164 178.567 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.24 -79.39 0.52 Allowed 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.982 -179.733 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -179.17 -128.95 1.24 Allowed Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.837 -0.697 . . . . 0.0 111.962 -179.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 14.6 m . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.747 179.823 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.8 p . . . . . 0 N--CA 1.484 1.274 0 CA-C-O 121.222 0.534 . . . . 0.0 111.413 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -100.04 82.34 2.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.653 179.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 56.89 35.63 26.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.619 179.273 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -126.82 39.09 2.03 Favored Glycine 0 CA--C 1.517 0.196 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.351 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 58.3 mm-40 -63.32 171.15 2.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.972 0.415 . . . . 0.0 111.543 -179.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 57.1 mt -107.89 149.32 28.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.809 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 35.1 t -45.39 144.66 1.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.074 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.8 p -111.94 35.05 3.87 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -179.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.401 HD12 ' ND1' ' A' ' 115' ' ' HIS . 86.5 mt -119.36 160.95 21.3 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 178.112 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.418 ' HG2' ' HD3' ' A' ' 75' ' ' ARG . 42.6 mtp180 -129.83 122.83 29.5 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.239 -179.541 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -105.14 100.34 9.93 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 178.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 60.14 39.43 19.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.502 -179.205 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.403 ' HA2' ' NH2' ' A' ' 70' ' ' ARG . . . 89.14 -3.79 84.43 Favored Glycine 0 CA--C 1.519 0.315 0 C-N-CA 120.879 -0.677 . . . . 0.0 113.173 179.679 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -96.03 111.45 23.46 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 117.107 0.453 . . . . 0.0 110.971 -179.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.418 ' HD3' ' HG2' ' A' ' 70' ' ' ARG . 14.1 tpp85 -70.8 61.84 0.26 Allowed 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.795 -179.006 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 4.3 t 32.43 -88.88 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 179.211 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 117.57 -29.48 6.63 Favored Glycine 0 C--N 1.336 0.548 0 C-N-CA 120.419 -0.896 . . . . 0.0 113.029 -179.347 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 48.9 ttt-85 -68.86 147.47 51.66 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.755 0.312 . . . . 0.0 110.623 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.88 154.02 12.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.716 -179.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.68 150.19 36.36 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.254 179.163 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -106.03 -140.58 10.06 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.48 -0.867 . . . . 0.0 113.973 -178.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -112.23 24.59 12.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.521 -0.339 . . . . 0.0 111.534 -178.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.456 ' HB2' ' HD3' ' A' ' 116' ' ' LYS . . . -115.32 167.67 10.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.999 0.428 . . . . 0.0 111.554 -179.647 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 55.7 p -129.84 153.8 47.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.693 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -85.53 113.71 21.99 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.876 179.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 78.6 p -116.95 -169.36 1.63 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.157 0.503 . . . . 0.0 111.262 -179.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.64 -37.87 55.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.3 178.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? -52.79 -42.74 65.33 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.889 -0.412 . . . . 0.0 109.889 178.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.403 ' O ' HG13 ' A' ' 93' ' ' ILE . 63.2 mt -66.25 -41.27 88.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.712 178.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -56.95 -52.04 66.78 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-O 121.621 0.724 . . . . 0.0 109.299 178.467 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.8 mmtp -54.38 -48.19 71.81 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 114.627 -1.17 . . . . 0.0 109.728 178.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.407 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 27.8 t -56.84 -39.8 74.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.248 178.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 89' ' ' ILE . 89.9 mt -65.44 -45.36 93.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.292 179.271 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 13.6 t -57.54 -36.85 72.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.35 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.434 ' HG2' ' NH1' ' A' ' 123' ' ' ARG . 11.1 tp60 -72.23 -50.65 25.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.852 0.358 . . . . 0.0 110.42 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.635 ' HE2' HG23 ' A' ' 119' ' ' ILE . 16.3 mttm -59.94 -42.65 94.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.053 0.454 . . . . 0.0 110.578 179.189 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.421 ' HB2' ' O ' ' A' ' 96' ' ' LYS . 3.2 mtmt 68.9 76.87 0.23 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.616 -178.051 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 32.8 m -131.83 175.69 10.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.966 -179.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.95 64.38 2.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.884 0.373 . . . . 0.0 111.354 -179.571 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 45.1 mt -133.44 104.77 6.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.273 179.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -130.06 152.06 49.93 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.056 0.455 . . . . 0.0 110.972 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 17.4 tp -71.97 145.5 48.35 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.61 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -92.53 113.19 25.4 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 177.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 3.0 mmmm -75.34 -5.22 43.63 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -178.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 58.3 m -77.77 -19.36 55.21 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.625 0.25 . . . . 0.0 111.223 179.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -79.34 -157.38 0.13 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.699 -179.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.4 ptp85 -146.49 -49.3 0.2 Allowed 'General case' 0 N--CA 1.456 -0.136 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.161 -179.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 15.0 p80 -80.39 152.03 29.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.506 -179.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 79.4 mt -116.03 84.06 2.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.104 178.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -143.58 108.24 4.87 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.356 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 34.2 pt -91.68 160.86 2.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.991 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 9.4 p -76.69 155.31 33.44 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.583 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -56.4 -31.8 64.22 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.124 0.488 . . . . 0.0 110.156 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 79.8 t80 -53.87 -60.64 3.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.244 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . 0.401 ' ND1' HD12 ' A' ' 69' ' ' LEU . 16.4 m170 -65.32 -32.53 74.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.763 -179.314 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.456 ' HD3' ' HB2' ' A' ' 83' ' ' ALA . 16.4 ttpp -60.08 -52.97 63.07 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.982 0.42 . . . . 0.0 110.589 179.686 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -66.99 -41.06 87.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.895 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.464 HD23 ' O ' ' A' ' 118' ' ' LEU . 6.0 tt -59.57 -42.16 91.81 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.024 -179.008 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.635 HG23 ' HE2' ' A' ' 96' ' ' LYS . 54.1 mt -87.3 -43.99 15.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 -177.708 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -64.71 -47.25 79.03 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 -178.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.6 t -85.08 41.66 0.89 Allowed 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 114.684 1.364 . . . . 0.0 114.684 -174.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.435 ' HB ' ' NZ ' ' A' ' 96' ' ' LYS . 90.4 t -118.67 -26.35 2.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.876 0.37 . . . . 0.0 110.551 177.567 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.434 ' NH1' ' HG2' ' A' ' 95' ' ' GLN . 14.6 mtm180 -127.55 32.78 4.94 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.267 0.556 . . . . 0.0 110.252 178.345 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . 0.409 ' H ' ' ND2' ' A' ' 124' ' ' ASN . 0.6 OUTLIER -56.24 90.02 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.673 179.358 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -138.11 82.21 1.9 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.415 -179.101 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -124.3 -73.95 0.63 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.724 179.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 43.5 -172.16 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.225 0.536 . . . . 0.0 111.991 178.766 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 5.9 ptp180 -104.65 159.06 16.07 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 177.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.404 ' HD3' ' N ' ' A' ' 130' ' ' GLY . 0.0 OUTLIER -87.62 -109.23 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.687 -0.405 . . . . 0.0 111.525 -179.08 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . 0.404 ' N ' ' HD3' ' A' ' 129' ' ' LYS . . . 121.11 -161.85 15.02 Favored Glycine 0 C--N 1.335 0.483 0 C-N-CA 120.335 -0.936 . . . . 0.0 112.039 -179.212 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 11.2 t . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.982 -179.93 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.3 p . . . . . 0 N--CA 1.481 1.083 0 CA-C-O 121.539 0.685 . . . . 0.0 111.422 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -83.41 131.13 35.06 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.993 -1.003 . . . . 0.0 111.24 -179.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 53.72 70.39 0.6 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.814 179.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -121.1 54.47 0.67 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.824 -0.703 . . . . 0.0 111.919 179.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 44.2 mm-40 -104.32 -171.14 1.87 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.08 0.467 . . . . 0.0 111.421 -179.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 26.2 mt -123.45 156.94 34.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.496 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 44.8 t -48.38 156.88 0.38 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.84 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 17.3 p -120.08 24.5 10.43 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.846 0.355 . . . . 0.0 111.62 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 63.8 mt -117.31 148.77 41.4 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 178.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.444 ' HG2' ' HD3' ' A' ' 75' ' ' ARG . 68.2 mtp180 -111.29 133.81 53.35 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.795 0.331 . . . . 0.0 111.389 -179.502 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -115.49 111.31 20.56 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.981 179.14 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 56.18 30.42 16.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.689 -179.235 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 96.85 -16.64 60.64 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.859 -0.686 . . . . 0.0 113.307 179.349 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -86.54 137.09 32.79 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.119 0.485 . . . . 0.0 111.722 -179.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.503 ' O ' ' N ' ' A' ' 77' ' ' GLY . 6.3 tpp85 -80.78 59.24 3.6 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.562 -178.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 7.5 t 45.15 -78.79 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 179.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 103.78 -15.31 52.55 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.308 -179.361 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 10.2 ttt180 -87.69 141.48 28.57 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.871 0.367 . . . . 0.0 110.576 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.53 158.49 1.78 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.69 -179.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -83.41 154.11 24.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.893 178.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -109.94 -106.6 3.0 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.176 -1.012 . . . . 0.0 113.891 -178.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -135.21 -37.74 0.78 Allowed 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -178.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.71 165.45 0.6 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.131 0.491 . . . . 0.0 111.875 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 96.2 p -136.2 137.3 40.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.739 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -59.8 137.71 57.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.924 179.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 88.4 p -144.64 -163.58 1.73 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.05 -179.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.3 mmtm -78.71 -36.7 43.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.497 179.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.47 -41.05 93.38 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.706 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.772 HG23 HG21 ' A' ' 119' ' ' ILE . 9.7 mt -69.3 -37.2 75.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 178.495 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.34 -44.99 95.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.796 178.776 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.72 -40.14 91.91 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.256 179.512 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.455 ' HA ' ' NE ' ' A' ' 123' ' ' ARG . 1.7 m -61.05 -44.48 97.32 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.068 178.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 95.6 mt -64.23 -46.17 94.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.09 179.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.0 -47.16 68.49 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.165 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 63.2 tp60 -66.98 -30.62 70.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.038 0.447 . . . . 0.0 110.182 179.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.426 ' HE2' ' HA ' ' A' ' 119' ' ' ILE . 42.4 mttp -72.57 -51.07 21.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.404 179.009 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 2.5 tptm 73.42 61.23 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.316 -178.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 27.4 m -117.58 167.91 10.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.411 -179.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 6.9 mmtp -82.09 52.94 2.09 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.236 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.405 ' HA ' ' O ' ' A' ' 70' ' ' ARG . 54.7 mt -134.73 105.34 6.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.454 179.616 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -136.98 151.24 48.77 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.891 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.5 tp -64.74 140.1 58.83 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.667 -179.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.421 ' HB2' ' HD2' ' A' ' 70' ' ' ARG . 43.9 t0 -101.71 147.36 26.54 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 177.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.4 ' HE3' ' HA ' ' A' ' 104' ' ' LYS . 0.1 OUTLIER -90.4 -13.56 34.72 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -178.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.4 p -64.75 -21.66 66.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.802 0.334 . . . . 0.0 110.967 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -75.41 -172.22 1.71 Allowed 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 121.091 0.472 . . . . 0.0 111.898 -179.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.87 -56.76 0.73 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.105 -179.671 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 28.8 p80 -80.45 151.94 29.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.935 -178.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 83.8 mt -108.13 76.42 1.04 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.684 178.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -140.35 124.43 17.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.044 -179.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 30.0 pt -103.56 166.46 2.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.009 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 9.7 p -84.23 165.19 18.57 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.419 179.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -63.4 -33.23 75.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.007 0.432 . . . . 0.0 110.395 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -55.56 -61.21 2.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.242 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 21.9 m170 -66.68 -36.61 82.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.61 -179.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 10.2 ttpp -56.28 -52.53 64.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.93 0.395 . . . . 0.0 110.31 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -65.19 -44.92 86.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.073 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.53 HD23 ' O ' ' A' ' 118' ' ' LEU . 5.2 tt -55.21 -49.64 71.42 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.832 -179.175 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.772 HG21 HG23 ' A' ' 89' ' ' ILE . 60.0 mt -78.05 -42.93 28.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 113.404 0.89 . . . . 0.0 113.404 -177.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -62.86 -30.77 71.76 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 -178.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -106.29 53.54 0.7 Allowed 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 -176.626 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 118' ' ' LEU . 88.2 t -134.53 -41.12 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.864 0.364 . . . . 0.0 110.119 177.646 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.455 ' NE ' ' HA ' ' A' ' 92' ' ' SER . 1.2 mtm105 -109.77 79.37 1.21 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.358 0.599 . . . . 0.0 109.663 178.371 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 19.4 p30 -119.38 16.5 13.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.433 -179.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 54.1 mtp180 -120.41 99.79 6.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.886 0.374 . . . . 0.0 111.512 -179.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 20.9 ttt180 -78.87 -58.96 2.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.659 178.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.423 ' O ' ' HB3' ' A' ' 128' ' ' ARG . 1.5 mtpp 55.1 85.9 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.586 -0.734 . . . . 0.0 112.965 178.734 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.423 ' HB3' ' O ' ' A' ' 127' ' ' LYS . 2.5 ptt180 174.0 -169.88 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.843 178.327 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 3.4 mtpp -162.74 -89.66 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 135.52 -174.22 21.38 Favored Glycine 0 N--CA 1.449 -0.433 0 N-CA-C 111.448 -0.661 . . . . 0.0 111.448 -178.014 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 60.4 p . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.232 -0.89 . . . . 0.0 111.009 -179.866 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 45.0 t . . . . . 0 N--CA 1.481 1.075 0 CA-C-O 121.571 0.7 . . . . 0.0 112.006 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -126.62 142.51 51.52 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.99 -1.004 . . . . 0.0 109.016 178.452 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 59.28 30.74 20.53 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.994 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -81.55 49.55 4.06 Favored Glycine 0 C--N 1.33 0.238 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.392 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -123.75 171.12 9.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.925 0.393 . . . . 0.0 110.41 -179.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 62.6 mt -109.21 169.63 8.56 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.304 179.385 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.413 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 39.4 t -62.75 141.78 58.44 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.411 179.742 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 26.9 p -105.11 34.38 3.24 Favored 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -179.104 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 51.0 mt -114.73 164.02 14.65 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 178.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 25.8 mtp-105 -131.45 102.81 6.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.709 0.29 . . . . 0.0 111.056 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -92.02 102.46 15.01 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.025 179.092 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 66.55 39.46 3.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.701 -179.133 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 82.83 -13.98 39.94 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.848 -0.691 . . . . 0.0 113.14 179.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -85.35 129.83 34.72 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.023 0.44 . . . . 0.0 110.883 -179.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.496 ' O ' ' N ' ' A' ' 77' ' ' GLY . 7.5 tpp85 -82.48 63.28 6.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.371 -178.473 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.413 ' HB3' ' HB3' ' A' ' 67' ' ' CYS . 7.6 t 32.4 -83.83 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 178.609 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 104.79 -17.64 45.2 Favored Glycine 0 C--N 1.336 0.556 0 C-N-CA 120.591 -0.814 . . . . 0.0 113.014 179.644 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 32.4 ttm180 -80.5 157.72 26.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.883 0.373 . . . . 0.0 110.663 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.78 142.77 57.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.959 -179.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.71 154.63 41.22 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.08 179.107 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -114.17 -141.88 7.87 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.366 -0.921 . . . . 0.0 113.909 -178.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -93.97 -33.11 13.58 Favored 'General case' 0 C--N 1.333 -0.113 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -178.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.428 ' HB2' ' HD3' ' A' ' 116' ' ' LYS . . . -65.81 152.06 45.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.063 0.459 . . . . 0.0 111.86 -179.137 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 24.6 p -114.55 -179.19 3.56 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.143 179.294 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.479 ' CD2' HD13 ' A' ' 102' ' ' LEU . 85.2 t80 -108.11 92.13 3.94 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 178.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 86.5 p -92.6 -170.14 2.39 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.76 -178.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.47 -40.9 41.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.828 179.594 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.469 ' NE ' HG13 ' A' ' 89' ' ' ILE . 0.0 OUTLIER -52.91 -46.79 68.21 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.792 179.697 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.469 HG13 ' NE ' ' A' ' 88' ' ' ARG . 58.6 mt -62.31 -40.56 88.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.807 0.337 . . . . 0.0 110.104 179.633 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 11.5 tm0? -59.57 -51.4 69.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.811 179.029 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.39 -38.9 74.99 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.62 179.163 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.423 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 52.3 m -64.89 -36.42 84.29 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.891 179.047 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 96.7 mt -74.71 -29.17 22.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.018 178.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 47.5 t -68.75 -56.39 8.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.086 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -52.11 -24.04 6.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.888 0.375 . . . . 0.0 110.297 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' A' ' 92' ' ' SER . 33.1 mttm -89.67 -47.82 7.68 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-O 121.301 0.572 . . . . 0.0 110.044 178.541 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 70.1 81.43 0.17 Allowed 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.367 -178.587 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 28.0 m -130.04 169.01 21.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.229 -179.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 8.9 mttp -80.68 61.51 4.39 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.928 0.394 . . . . 0.0 111.297 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 74.4 mt -142.92 104.9 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.363 179.261 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -132.07 165.99 22.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.267 179.621 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.479 HD13 ' CD2' ' A' ' 85' ' ' PHE . 0.6 OUTLIER -82.55 120.85 26.04 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.002 0.43 . . . . 0.0 111.766 -179.71 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -61.17 112.59 2.18 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 178.281 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 14.6 mmtp -66.56 -24.38 66.35 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -179.099 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 10.4 p -58.97 -34.43 71.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.796 0.331 . . . . 0.0 111.034 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -70.92 -173.67 0.83 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.139 0.495 . . . . 0.0 112.049 -179.069 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.7 mtp180 -132.68 -59.99 0.89 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.702 -179.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -60.72 158.04 13.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.934 -178.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 71.5 mt -120.9 84.6 2.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.761 178.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -148.64 117.83 6.84 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.245 -179.571 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 34.2 pt -103.57 157.98 5.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 23.5 p -74.14 161.87 29.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.525 179.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.39 -33.63 75.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.022 0.439 . . . . 0.0 110.285 179.531 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -51.85 -60.95 2.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.157 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 12.1 m80 -63.19 -42.98 99.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.728 -179.175 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.428 ' HD3' ' HB2' ' A' ' 83' ' ' ALA . 7.5 ttpp -53.03 -48.93 67.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.097 0.475 . . . . 0.0 110.496 179.664 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -68.98 -37.89 79.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.157 -179.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.531 ' O ' HG23 ' A' ' 122' ' ' VAL . 5.2 tt -64.16 -41.07 97.3 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.684 -179.25 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 59.8 mt -84.3 -34.42 9.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 113.312 0.856 . . . . 0.0 113.312 -177.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -73.19 -34.45 65.98 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 113.328 0.862 . . . . 0.0 113.328 -178.263 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 16.4 m -93.96 15.58 16.5 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 115.065 1.506 . . . . 0.0 115.065 -176.119 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 118' ' ' LEU . 43.2 t -82.18 -43.92 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 C-N-CA 120.14 -0.624 . . . . 0.0 109.596 178.163 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 10.6 mtp85 -82.2 73.26 9.24 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.067 177.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 35.5 p30 -124.34 55.83 1.29 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.41 179.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 5.2 mtt180 -158.98 -40.56 0.06 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.884 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 15.9 ttp180 -71.02 -48.27 54.0 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.246 0.546 . . . . 0.0 109.653 178.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 15.2 ttpp 52.42 97.65 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.329 -0.851 . . . . 0.0 112.58 178.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -138.51 151.32 47.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.18 178.331 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 6.2 tttp -146.65 10.8 1.08 Allowed 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 147.43 -116.28 0.83 Allowed Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.844 -0.693 . . . . 0.0 111.682 -179.18 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 17.7 p . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.257 -0.878 . . . . 0.0 111.006 179.762 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.485 1.285 0 CA-C-O 121.213 0.53 . . . . 0.0 111.294 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -131.99 115.8 16.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.454 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 62.9 85.77 0.13 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.215 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -85.38 48.16 3.96 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.289 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 34.0 mm-40 -85.83 -171.82 3.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.855 0.36 . . . . 0.0 110.915 -179.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 70.5 mt -111.87 138.38 48.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.501 179.02 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.424 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 17.5 t -44.66 138.59 3.3 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.978 179.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 24.6 p -102.93 37.21 2.0 Favored 'General case' 0 N--CA 1.462 0.173 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -179.029 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 67.6 mt -118.03 149.07 41.58 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 178.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.454 ' HG2' ' HD3' ' A' ' 75' ' ' ARG . 19.9 mtm180 -121.66 111.42 17.17 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.562 -179.432 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -96.54 108.27 20.82 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 178.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 61.08 24.14 14.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.784 -179.03 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 100.13 0.19 56.01 Favored Glycine 0 C--N 1.333 0.38 0 C-N-CA 120.884 -0.674 . . . . 0.0 113.428 179.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.435 ' O ' ' HA ' ' A' ' 70' ' ' ARG . 0.1 OUTLIER -98.9 121.0 40.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 117.164 0.482 . . . . 0.0 111.118 -179.555 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.572 ' O ' ' N ' ' A' ' 77' ' ' GLY . 0.0 OUTLIER -74.53 55.02 0.62 Allowed 'General case' 0 C--O 1.222 -0.345 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.549 -179.004 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.424 ' HB3' ' HB3' ' A' ' 67' ' ' CYS . 4.5 t 44.45 -69.67 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 -179.727 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.572 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 98.54 -33.83 5.75 Favored Glycine 0 N--CA 1.449 -0.475 0 N-CA-C 110.484 -1.046 . . . . 0.0 110.484 -178.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.424 ' HD3' ' HB2' ' A' ' 112' ' ' CYS . 13.3 ttt85 -62.82 144.15 56.85 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 114.942 -0.629 . . . . 0.0 110.142 179.227 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.17 156.37 34.28 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.45 -179.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.33 152.05 42.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.948 179.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -108.06 -125.44 5.27 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.365 -0.921 . . . . 0.0 113.964 -178.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -111.74 -29.33 7.74 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -178.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -73.6 168.15 19.9 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.153 0.501 . . . . 0.0 112.08 -178.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -126.72 171.38 11.23 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.194 179.645 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -92.88 107.69 19.42 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 178.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 88.2 p -112.63 -167.67 1.22 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.198 0.523 . . . . 0.0 111.875 -178.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.54 -44.34 24.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.099 -179.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? -51.76 -43.61 63.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.283 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.824 HG23 HG21 ' A' ' 119' ' ' ILE . 15.8 mt -65.07 -39.96 87.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.2 179.244 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -60.02 -52.28 66.06 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.024 0.44 . . . . 0.0 110.076 179.287 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -54.32 -44.53 72.12 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.546 179.432 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 15.2 t -54.76 -52.11 63.6 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.874 178.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 81.0 mt -55.77 -41.02 64.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.244 179.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 67.9 m -64.18 -36.25 83.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.213 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -73.66 -33.49 64.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.901 0.381 . . . . 0.0 110.075 179.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.476 ' HE3' HG21 ' A' ' 122' ' ' VAL . 27.6 mttp -78.28 -38.43 42.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.608 178.459 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 63.58 83.44 0.16 Allowed 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.208 -0.906 . . . . 0.0 109.686 -178.6 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 28.6 m -136.04 166.11 27.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.154 -179.238 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.06 56.88 2.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.299 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 51.6 mt -129.13 121.54 54.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.476 179.238 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -146.11 152.33 39.13 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.684 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.41 ' HG ' ' N ' ' A' ' 103' ' ' ASP . 0.4 OUTLIER -66.38 137.98 57.26 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.136 0.493 . . . . 0.0 111.599 -179.681 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.41 ' N ' ' HG ' ' A' ' 102' ' ' LEU . 34.7 t0 -75.92 122.57 24.35 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 177.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.8 mmpt? -85.57 -1.9 57.59 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -179.225 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 81.1 p -98.71 21.46 11.35 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.79 0.329 . . . . 0.0 110.751 179.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -109.17 -172.41 2.04 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 121.176 0.512 . . . . 0.0 111.765 -179.237 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.45 -31.08 1.24 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.772 179.64 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 20.8 p80 -96.33 168.84 10.32 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.173 0.511 . . . . 0.0 111.961 -179.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 77.6 mt -134.79 72.93 1.46 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.71 178.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -142.88 116.75 9.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.172 -179.355 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 28.8 pt -93.17 173.72 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . 0.424 ' HB2' ' HD3' ' A' ' 78' ' ' ARG . 9.0 p -90.72 163.99 14.29 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.568 179.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -59.73 -34.29 72.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.96 0.409 . . . . 0.0 110.796 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -55.47 -62.83 1.42 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.669 -179.536 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 9.2 m80 -61.62 -32.72 72.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.399 -179.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.414 ' O ' ' HB2' ' A' ' 120' ' ' GLN . 10.6 ttpp -61.24 -54.13 48.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.908 0.385 . . . . 0.0 110.462 179.707 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.425 ' O ' ' HB2' ' A' ' 121' ' ' SER . 28.4 t30 -67.06 -26.22 66.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.032 -179.597 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.706 HD23 ' O ' ' A' ' 118' ' ' LEU . 3.9 tt -73.76 -41.08 62.97 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.424 -179.515 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.824 HG21 HG23 ' A' ' 89' ' ' ILE . 46.5 mt -87.31 -36.92 10.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 -178.008 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.414 ' HB2' ' O ' ' A' ' 116' ' ' LYS . 5.0 mm100 -75.11 -39.81 60.37 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 -178.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.425 ' HB2' ' O ' ' A' ' 117' ' ' ASN . 37.6 m -94.3 38.61 1.09 Allowed 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 115.423 1.638 . . . . 0.0 115.423 -175.457 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.476 HG21 ' HE3' ' A' ' 96' ' ' LYS . 22.0 t -109.19 -28.41 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 177.107 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 19.3 mtm180 -100.7 54.62 0.87 Allowed 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 178.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 15.8 p30 -86.02 39.49 0.81 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.836 -179.163 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.34 -48.49 27.83 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.185 0.517 . . . . 0.0 110.499 179.731 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.415 ' O ' ' HB2' ' A' ' 127' ' ' LYS . 44.5 mtm180 -144.65 -42.86 0.24 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.256 179.679 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.415 ' HB2' ' O ' ' A' ' 126' ' ' ARG . 0.9 OUTLIER 73.99 -7.64 1.58 Allowed 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.79 -0.641 . . . . 0.0 112.401 179.291 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -101.58 164.37 11.79 Favored 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 178.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.49 -24.08 3.97 Favored 'General case' 0 C--N 1.318 -0.787 0 C-N-CA 120.901 -0.32 . . . . 0.0 111.618 179.758 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 158.54 -78.97 0.18 Allowed Glycine 0 N--CA 1.447 -0.582 0 N-CA-C 111.511 -0.636 . . . . 0.0 111.511 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 28.3 m . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.44 179.367 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.7 m . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 121.347 0.594 . . . . 0.0 111.466 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 17.7 m120 65.32 23.86 12.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.205 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -127.06 128.66 46.64 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 178.212 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.33 46.6 7.39 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.109 -1.043 . . . . 0.0 110.752 -178.109 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -67.75 176.93 2.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.161 0.505 . . . . 0.0 111.675 -179.196 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.417 ' HA ' ' HA ' ' A' ' 79' ' ' ALA . 0.2 OUTLIER -111.3 139.1 46.97 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.419 179.765 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 49.3 t -45.72 140.99 3.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.283 -0.871 . . . . 0.0 111.498 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 22.4 p -105.84 22.97 14.69 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.604 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 45.0 mt -108.48 146.34 33.33 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 178.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.446 ' HG2' ' HD3' ' A' ' 75' ' ' ARG . 37.1 mtp180 -114.32 131.55 56.49 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.302 -179.282 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -115.55 103.75 11.04 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.663 178.73 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 65.23 17.15 10.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.917 -178.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 112.57 -21.91 18.18 Favored Glycine 0 C--N 1.334 0.463 0 C-N-CA 120.695 -0.764 . . . . 0.0 113.316 179.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -80.34 134.64 36.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.805 0.302 . . . . 0.0 111.58 -179.385 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.535 ' O ' ' N ' ' A' ' 77' ' ' GLY . 0.0 OUTLIER -80.54 56.27 2.55 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.003 -179.417 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 4.4 t 49.32 -71.58 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 179.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.535 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 103.77 -36.88 4.05 Favored Glycine 0 N--CA 1.45 -0.405 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 -178.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 43.6 ttt180 -71.53 140.1 49.76 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 178.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.417 ' HA ' ' HA ' ' A' ' 66' ' ' LEU . . . -66.06 160.61 23.46 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.923 0.392 . . . . 0.0 111.573 -178.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.33 159.77 31.96 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.114 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -123.66 -120.93 2.59 Favored Glycine 0 C--N 1.332 0.33 0 C-N-CA 120.485 -0.864 . . . . 0.0 113.657 -179.178 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -108.02 -42.3 4.71 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -178.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.402 ' HB2' ' CD ' ' A' ' 116' ' ' LYS . . . -53.67 142.94 21.66 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.08 0.467 . . . . 0.0 111.658 -179.214 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 25.1 p -116.96 139.4 50.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.722 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -65.25 124.24 21.67 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.089 179.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.57 -171.22 2.35 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.92 0.39 . . . . 0.0 111.494 -179.322 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -76.75 -37.75 55.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.835 179.74 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.64 -47.4 73.55 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.017 178.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.582 HG23 HG21 ' A' ' 119' ' ' ILE . 67.3 mt -63.32 -35.81 73.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.007 179.012 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -64.37 -47.42 79.36 Favored 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 178.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -58.48 -40.8 83.74 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-N 114.336 -1.302 . . . . 0.0 110.264 178.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.1 m -64.99 -52.49 55.89 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.108 178.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.472 HG23 HG22 ' A' ' 98' ' ' VAL . 91.7 mt -55.96 -35.77 41.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.289 179.108 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.15 -53.13 58.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.15 -179.716 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.28 -40.04 95.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.838 0.351 . . . . 0.0 110.191 179.777 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 33.3 mtpt -67.91 -38.8 83.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.355 0.598 . . . . 0.0 109.834 178.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.419 ' HA ' ' HE3' ' A' ' 97' ' ' LYS . 0.0 OUTLIER 57.86 74.49 0.42 Allowed 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.585 -178.623 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.472 HG22 HG23 ' A' ' 93' ' ' ILE . 19.6 m -120.61 166.53 14.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.194 -179.114 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 5.1 mmtm -76.39 57.63 1.21 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.097 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 46.8 mt -140.52 118.04 9.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.882 0.372 . . . . 0.0 110.448 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -139.45 165.8 26.25 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.28 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.82 131.92 34.22 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.456 0.646 . . . . 0.0 112.006 -179.432 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -76.66 145.92 38.48 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.001 -1.0 . . . . 0.0 108.731 177.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 35.7 mttp -102.38 -23.87 13.91 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.865 0.364 . . . . 0.0 110.871 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.4 t -60.01 -16.87 34.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.177 179.041 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -84.31 -153.94 0.16 Allowed 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.613 -179.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.31 -54.77 0.08 Allowed 'General case' 0 C--O 1.232 0.173 0 CA-C-O 121.024 0.44 . . . . 0.0 110.718 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 23.4 p80 -68.78 151.41 46.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.894 -0.593 . . . . 0.0 112.022 -179.071 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 96.7 mt -113.23 62.7 0.64 Allowed 'General case' 0 C--O 1.231 0.12 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.407 179.245 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -128.75 122.49 30.74 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.946 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 38.9 pt -107.02 161.05 6.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 120.916 0.388 . . . . 0.0 110.928 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 20.3 p -74.5 172.5 11.88 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.427 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -72.02 -32.11 66.84 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.12 0.486 . . . . 0.0 110.115 179.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 47.1 t80 -50.72 -58.25 6.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.209 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 16.7 m80 -66.3 -39.87 89.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.643 -179.291 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.431 ' O ' ' HB2' ' A' ' 120' ' ' GLN . 12.6 ttpp -53.0 -50.2 64.66 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.875 0.369 . . . . 0.0 110.241 179.727 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 64.8 t-20 -69.68 -39.95 76.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.351 -179.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.727 HD23 ' O ' ' A' ' 118' ' ' LEU . 4.4 tt -62.34 -35.37 78.9 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.848 -179.139 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.582 HG21 HG23 ' A' ' 89' ' ' ILE . 71.6 mt -92.14 -49.42 13.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 -177.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.431 ' HB2' ' O ' ' A' ' 116' ' ' LYS . 9.8 mm-40 -52.22 -38.63 58.53 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 113.202 0.816 . . . . 0.0 113.202 -178.577 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 42.7 m -78.29 29.87 0.18 Allowed 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 115.344 1.609 . . . . 0.0 115.344 -175.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 80.8 t -103.51 -51.14 8.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 177.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 5.1 mtt-85 -100.8 15.18 29.24 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.349 177.15 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -161.89 79.36 0.55 Allowed 'General case' 0 C--O 1.231 0.084 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.047 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 8.4 ttp180 -60.38 -55.89 28.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.122 -179.348 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.4 mmm180 -124.34 28.12 6.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.206 0.526 . . . . 0.0 110.342 179.029 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 40.4 tttp 57.41 75.18 0.38 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.405 -0.816 . . . . 0.0 112.137 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.17 -0.65 19.2 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.917 177.713 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 13.9 tptp 54.69 -124.74 2.2 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.594 179.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 161.92 -74.26 0.19 Allowed Glycine 0 N--CA 1.445 -0.728 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 34.3 t . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.206 179.029 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 73.7 p . . . . . 0 N--CA 1.484 1.252 0 CA-C-O 120.834 0.349 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 65.2 164.18 0.15 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.856 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 51.86 87.13 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.324 179.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -164.86 50.44 0.28 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.958 -0.639 . . . . 0.0 111.973 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -91.42 164.81 13.69 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.983 0.42 . . . . 0.0 111.35 -179.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.75 151.32 26.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.396 179.699 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 22.4 t -46.89 148.71 1.0 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.457 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 29.8 p -117.52 13.47 14.38 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 58.3 mt -104.6 149.97 25.06 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 178.314 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.41 ' HA ' ' O ' ' A' ' 74' ' ' GLU . 14.3 mtp180 -114.59 113.9 25.0 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.821 0.343 . . . . 0.0 111.505 -179.203 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -98.54 113.87 26.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.076 179.15 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 59.57 25.92 14.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.709 -179.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 94.19 -1.8 67.8 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.784 -0.722 . . . . 0.0 113.153 179.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.41 ' O ' ' HA ' ' A' ' 70' ' ' ARG . 1.0 OUTLIER -99.93 135.15 41.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 117.196 0.498 . . . . 0.0 111.41 -179.689 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.545 ' O ' ' N ' ' A' ' 77' ' ' GLY . 4.8 tpp85 -77.54 55.75 1.34 Allowed 'General case' 0 C--O 1.226 -0.172 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.069 -179.629 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER 46.63 -70.77 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 113.817 1.043 . . . . 0.0 113.817 -179.619 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.545 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 100.33 -23.24 36.6 Favored Glycine 0 N--CA 1.45 -0.367 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 -178.746 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 45.9 ttt180 -80.93 154.42 27.01 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 178.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.22 158.62 34.87 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.025 0.441 . . . . 0.0 111.709 -178.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.02 159.26 26.28 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.063 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -112.53 -127.75 4.87 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.508 -0.853 . . . . 0.0 113.681 -179.027 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -124.08 -3.0 8.1 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 -178.355 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.501 ' HB2' ' CD ' ' A' ' 116' ' ' LYS . . . -89.44 175.73 7.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.083 0.468 . . . . 0.0 111.631 -179.528 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -136.7 145.8 45.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.648 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -78.78 112.97 16.45 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 178.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 87.9 p -119.85 -164.9 1.11 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.352 -178.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.7 mmmm -79.2 -44.49 21.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.137 179.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -51.06 -50.76 58.03 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.564 -179.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.546 HG23 HG21 ' A' ' 119' ' ' ILE . 69.5 mt -59.73 -39.63 80.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.346 179.544 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -60.54 -31.1 70.21 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.014 0.435 . . . . 0.0 109.835 179.02 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.6 tmtp? -75.58 -43.79 46.48 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.638 179.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.0 m -59.44 -32.25 70.04 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.939 178.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.467 HD11 HD13 ' A' ' 119' ' ' ILE . 79.5 mt -79.4 -47.06 22.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.853 178.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.5 t -51.27 -53.99 30.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.085 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -61.77 -16.04 46.3 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.755 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.608 ' HE3' HG11 ' A' ' 122' ' ' VAL . 45.7 mttp -92.66 -37.04 12.63 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 177.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.77 73.18 0.46 Allowed 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.459 -178.332 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 9.1 m -120.39 179.13 2.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.246 -179.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.17 53.11 2.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.273 -179.566 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 88.8 mt -128.71 118.27 46.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.151 179.094 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -143.18 170.1 16.36 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.745 -179.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 103' ' ' ASP . 22.2 tp -94.34 140.25 30.03 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.234 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.41 ' O ' ' HG ' ' A' ' 102' ' ' LEU . 7.3 t0 -88.66 162.45 16.3 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 178.557 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.8 mtmm -102.92 -13.41 16.94 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.605 -0.438 . . . . 0.0 112.115 -178.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 86.8 p -66.8 -32.01 73.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.754 0.311 . . . . 0.0 111.591 -179.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -82.22 139.44 34.25 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.938 0.399 . . . . 0.0 112.055 -178.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.11 -27.2 13.94 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.672 179.447 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 25.2 p80 -91.64 149.77 21.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.992 -178.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 73.8 mt -110.67 80.73 1.34 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.506 179.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -140.1 106.37 5.26 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.268 179.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 32.5 pt -90.56 165.42 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.95 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 21.1 p -78.82 173.5 12.45 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.45 179.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 63.4 t0 -73.5 -23.38 60.03 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.601 179.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -62.46 -61.34 2.51 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.257 -179.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 22.9 m170 -63.04 -28.78 70.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.439 -179.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.501 ' CD ' ' HB2' ' A' ' 83' ' ' ALA . 18.2 ttpp -66.13 -53.96 31.36 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.864 0.364 . . . . 0.0 110.437 179.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -66.21 -30.93 71.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.12 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.826 ' O ' HG23 ' A' ' 122' ' ' VAL . 6.0 tt -70.83 -52.05 22.8 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.799 -179.095 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.546 HG21 HG23 ' A' ' 89' ' ' ILE . 79.1 mt -76.55 -42.89 35.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -178.001 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.419 ' HB2' ' O ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -65.35 -32.53 74.22 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 -178.466 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 74.4 m -104.95 34.89 2.99 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 115.33 1.604 . . . . 0.0 115.33 -175.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.826 HG23 ' O ' ' A' ' 118' ' ' LEU . 69.6 t -106.52 -45.93 8.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 C-N-CA 120.177 -0.609 . . . . 0.0 109.82 177.661 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.419 ' HG3' ' NZ ' ' A' ' 96' ' ' LYS . 61.8 mtp180 -89.05 -29.95 19.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.047 0.451 . . . . 0.0 110.0 178.538 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 49.56 81.03 0.06 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.402 -179.569 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 16.9 ttt85 -75.59 70.96 2.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.802 0.334 . . . . 0.0 111.449 -179.099 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 8.2 ttt180 -93.21 55.03 2.22 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.052 179.386 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 11.3 mttp -137.64 92.86 2.73 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.249 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 20.6 tpp180 56.9 101.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.281 179.105 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -115.94 -50.97 2.66 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.104 0.478 . . . . 0.0 110.404 179.655 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 140.97 177.53 16.34 Favored Glycine 0 N--CA 1.448 -0.515 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.871 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 34.0 p . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.311 -0.852 . . . . 0.0 110.746 179.794 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 16.1 p . . . . . 0 N--CA 1.485 1.305 0 CA-C-O 120.984 0.421 . . . . 0.0 110.821 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 49.74 72.52 0.31 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.29 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -148.99 25.01 0.93 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.984 178.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -115.46 66.44 0.29 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.973 -0.632 . . . . 0.0 112.215 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 69.2 mm-40 -107.49 162.65 13.75 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.898 0.38 . . . . 0.0 110.683 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -117.77 152.29 35.59 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 179.773 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 53.5 t -41.27 144.97 0.27 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.516 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 20.6 p -108.33 28.84 7.92 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.933 0.397 . . . . 0.0 111.527 -179.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 30.2 mt -130.49 161.4 31.52 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.666 178.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.487 ' HD2' ' HD3' ' A' ' 75' ' ' ARG . 6.2 mtm180 -127.55 117.94 23.02 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.701 0.286 . . . . 0.0 110.833 179.711 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -94.78 122.0 36.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.905 0.383 . . . . 0.0 110.001 179.156 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 54.26 30.81 13.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.736 -179.25 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 92.0 -12.26 69.98 Favored Glycine 0 CA--C 1.519 0.338 0 C-N-CA 120.784 -0.722 . . . . 0.0 113.24 179.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -91.81 139.11 30.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.885 0.343 . . . . 0.0 111.431 -179.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.487 ' HD3' ' HD2' ' A' ' 70' ' ' ARG . 1.6 tpp85 -75.36 59.99 1.1 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.518 -179.139 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 6.9 t 47.39 -78.58 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 113.318 0.859 . . . . 0.0 113.318 179.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 113.94 -23.93 12.42 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.622 -0.799 . . . . 0.0 111.763 -178.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 45.6 mtt-85 -88.81 148.62 23.81 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 179.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.11 157.92 37.36 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.013 0.435 . . . . 0.0 111.969 -178.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.39 155.45 18.06 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.017 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -109.36 -114.21 3.66 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.513 -0.851 . . . . 0.0 113.548 -179.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -133.32 -33.63 1.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.454 0.538 . . . . 0.0 112.454 -178.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.42 175.83 0.71 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.041 0.448 . . . . 0.0 112.096 -179.29 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.0 p -130.24 161.72 30.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.427 179.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -91.19 108.1 19.65 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.115 179.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 62.0 p -112.68 -164.33 0.91 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.098 -179.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.0 tppp? -79.27 -42.71 25.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.277 178.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -53.01 -37.55 61.58 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.808 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.756 HG23 HG21 ' A' ' 119' ' ' ILE . 8.3 mt -70.14 -48.14 63.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 178.74 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.12 -43.77 70.75 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.552 0.691 . . . . 0.0 109.493 178.702 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.3 mmtp -66.2 -42.9 88.17 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 114.888 -1.051 . . . . 0.0 110.152 179.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 28.1 t -59.22 -32.27 69.8 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.321 179.282 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 70.7 mt -79.97 -39.79 19.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.388 179.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.0 m -61.82 -37.83 85.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.265 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -70.65 -36.98 73.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.886 0.374 . . . . 0.0 110.25 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.729 ' HE3' HG11 ' A' ' 122' ' ' VAL . 29.3 mttp -73.49 -45.98 50.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.271 0.558 . . . . 0.0 110.135 178.544 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 73.83 75.89 0.13 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.366 -178.446 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 23.8 m -128.37 166.57 25.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.119 -179.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 10.6 mttp -80.19 63.66 4.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.324 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 74.0 mt -135.37 105.1 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.398 179.208 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -127.58 153.91 45.83 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.429 179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.06 124.67 28.32 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.994 0.426 . . . . 0.0 111.83 -179.459 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -65.46 154.07 39.54 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 177.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.4 mtpp -105.17 -18.58 14.09 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.642 -0.423 . . . . 0.0 111.604 -179.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 47.3 p -74.13 -6.96 50.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.627 -0.261 . . . . 0.0 111.354 179.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -61.43 -176.62 0.08 Allowed 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 121.219 0.533 . . . . 0.0 112.109 -179.221 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 8.3 mtm180 -148.14 20.31 1.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.398 179.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 33.6 p80 -168.41 169.27 10.7 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.799 -179.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 88.3 mt -123.24 77.64 1.5 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.101 179.126 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -141.2 106.59 5.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.338 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 43.9 pt -87.12 159.57 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.942 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 25.1 p -76.39 165.7 24.47 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.689 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -63.38 -39.91 95.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.186 179.271 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -48.23 -61.48 1.97 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.566 -179.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 22.6 m170 -66.95 -34.17 77.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.801 -179.203 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 6.7 ttpp -55.87 -50.64 70.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.023 0.439 . . . . 0.0 110.709 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.25 -41.49 73.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.392 -179.438 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 10.5 tt -60.14 -40.23 89.1 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.821 -179.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.756 HG21 HG23 ' A' ' 89' ' ' ILE . 50.0 mt -83.92 -43.88 17.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 -178.224 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.407 ' O ' ' HB3' ' A' ' 124' ' ' ASN . 95.7 mt-30 -69.19 -35.67 76.49 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 -178.643 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 95.5 p -77.72 6.82 6.66 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 114.463 1.283 . . . . 0.0 114.463 -176.203 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.729 HG11 ' HE3' ' A' ' 96' ' ' LYS . 51.8 t -108.65 102.56 14.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 C-N-CA 120.065 -0.654 . . . . 0.0 110.843 178.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.489 ' HD3' ' HD2' ' A' ' 126' ' ' ARG . 92.6 mtt-85 49.04 62.04 2.81 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-O 121.463 0.649 . . . . 0.0 111.408 -179.35 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . 0.407 ' HB3' ' O ' ' A' ' 120' ' ' GLN . 0.8 OUTLIER -73.28 -21.02 60.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.003 -0.999 . . . . 0.0 111.657 -179.928 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 14.4 ttm105 -114.08 35.27 4.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.85 0.357 . . . . 0.0 111.463 -179.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.489 ' HD2' ' HD3' ' A' ' 123' ' ' ARG . 3.4 tpm_? -89.66 19.7 4.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.06 178.496 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -145.75 85.97 1.71 Allowed 'General case' 0 N--CA 1.449 -0.505 0 CA-C-O 121.073 0.463 . . . . 0.0 110.642 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -131.34 150.71 52.04 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.536 179.098 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -103.71 44.23 1.03 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.369 0.604 . . . . 0.0 110.661 179.774 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -177.18 -33.28 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.263 0 CA-C-N 115.145 -0.934 . . . . 0.0 111.924 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 26.9 t . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.663 179.319 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.482 1.142 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -107.0 -6.22 17.63 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.641 -0.424 . . . . 0.0 110.31 177.379 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -82.26 75.07 9.2 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 177.073 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 120.71 83.56 0.76 Allowed Glycine 0 N--CA 1.447 -0.582 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 -178.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 72.1 mm-40 -54.12 170.73 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.166 0.508 . . . . 0.0 111.961 -178.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 64.7 mt -108.86 155.99 20.18 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.642 179.558 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 32.0 t -60.16 149.81 31.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.893 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 61.3 m -117.51 39.92 3.19 Favored 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -179.238 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 54.8 mt -122.18 158.45 29.36 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 178.239 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.414 ' O ' ' HA ' ' A' ' 100' ' ' ILE . 49.8 mtm180 -129.75 129.42 44.12 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.46 -0.337 . . . . 0.0 111.172 -179.549 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -105.01 107.01 17.76 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.997 178.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 39.9 t0 64.23 30.74 13.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.607 -179.205 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 96.96 -29.72 10.16 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.882 -0.675 . . . . 0.0 113.14 179.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -78.12 139.31 39.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.027 0.441 . . . . 0.0 111.643 -179.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.2 tpp85 -76.12 146.53 39.21 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.907 -179.078 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 47.6 t -65.22 -83.84 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.618 179.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 110.99 -30.99 7.58 Favored Glycine 0 C--N 1.333 0.376 0 C-N-CA 120.326 -0.94 . . . . 0.0 113.181 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 37.4 ttt85 -59.79 144.43 48.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.729 0.3 . . . . 0.0 110.71 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.409 ' O ' ' HB3' ' A' ' 112' ' ' CYS . . . -52.14 156.09 1.73 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.439 -179.727 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.99 162.42 28.6 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.375 179.27 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -115.4 -134.0 5.49 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.294 -0.955 . . . . 0.0 113.975 -178.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -111.65 -20.2 12.21 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 111.852 0.316 . . . . 0.0 111.852 -178.334 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.414 ' CB ' ' HG3' ' A' ' 116' ' ' LYS . . . -80.7 168.8 18.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.109 0.48 . . . . 0.0 111.673 -179.382 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.2 m -133.51 145.28 50.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.638 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -63.73 131.15 46.98 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 178.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 61.1 p -142.18 -176.84 4.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.138 0.494 . . . . 0.0 111.719 -179.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.1 mmmm -72.39 -42.09 65.59 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.903 179.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -52.76 -43.94 66.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.951 179.149 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.743 HG23 HG21 ' A' ' 119' ' ' ILE . 9.7 mt -65.32 -39.09 84.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.137 179.22 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -58.35 -40.77 83.11 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 178.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.2 tptm -63.98 -50.34 68.94 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.567 178.55 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 9.6 t -52.78 -36.68 58.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.248 179.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 96.5 mt -74.44 -42.99 49.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.484 179.304 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 6.9 t -57.55 -39.38 76.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.11 -179.588 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -69.78 -40.48 76.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.018 0.437 . . . . 0.0 110.151 179.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.443 ' O ' ' HB2' ' A' ' 97' ' ' LYS . 23.8 mtpp -67.24 -42.4 84.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.502 179.201 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.443 ' HB2' ' O ' ' A' ' 96' ' ' LYS . 9.5 mmtt 68.06 57.0 0.51 Allowed 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.647 -178.453 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 20.7 m -106.74 160.07 6.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.468 -179.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 4.3 mmtm -77.67 55.32 1.32 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.406 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.414 ' HA ' ' O ' ' A' ' 70' ' ' ARG . 61.7 mt -125.84 123.48 64.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.883 0.373 . . . . 0.0 110.477 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -142.87 145.06 32.76 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.612 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.7 tp -68.44 134.78 50.68 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.087 -0.506 . . . . 0.0 112.0 -179.357 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 52.9 t0 -86.79 122.05 30.13 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 177.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.4 mtpp -79.64 -13.47 59.47 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -178.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 40.3 p -82.7 9.56 9.37 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-O 120.57 0.224 . . . . 0.0 111.185 179.342 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -78.48 -135.52 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 116.719 -0.219 . . . . 0.0 111.429 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 12.4 tpp85 -161.49 -62.28 0.05 Allowed 'General case' 0 C--N 1.34 0.164 0 CA-C-O 121.236 0.541 . . . . 0.0 110.428 -179.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 18.3 p80 -94.86 -177.94 4.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.721 -178.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 85.3 mt -133.14 69.27 1.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.07 179.231 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -140.48 95.85 2.94 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.065 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 40.8 pt -73.68 169.89 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.131 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . 0.409 ' HB3' ' O ' ' A' ' 79' ' ' ALA . 8.7 p -80.34 169.21 18.05 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.585 179.614 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -68.41 -39.78 81.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.179 0.514 . . . . 0.0 110.153 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -50.24 -61.46 2.15 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.46 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 10.5 m170 -64.88 -36.04 83.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.829 -179.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.414 ' HG3' ' CB ' ' A' ' 83' ' ' ALA . 8.3 ttpp -55.48 -53.75 52.43 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.046 0.451 . . . . 0.0 110.528 179.712 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -64.75 -42.53 95.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.621 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.517 HD23 ' O ' ' A' ' 118' ' ' LEU . 3.2 tt -57.28 -41.9 80.61 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.875 -178.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.743 HG21 HG23 ' A' ' 89' ' ' ILE . 49.5 mt -81.99 -43.83 19.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 -178.021 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -73.94 -34.02 64.15 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 113.475 0.917 . . . . 0.0 113.475 -178.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 5.7 t -76.79 -0.4 23.71 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 114.54 1.311 . . . . 0.0 114.54 -175.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 118' ' ' LEU . 84.6 t -81.0 -34.51 13.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 C-N-CA 120.134 -0.626 . . . . 0.0 110.248 179.132 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.431 ' CZ ' ' HB2' ' A' ' 123' ' ' ARG . 7.4 mtm-85 -104.74 -35.89 7.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.932 179.184 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 46.22 45.48 12.94 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.94 179.777 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 3.5 mtp180 -96.38 114.67 26.37 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -179.13 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.437 ' O ' ' N ' ' A' ' 128' ' ' ARG . 24.4 mtp180 -105.25 -84.44 0.5 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.797 178.534 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 50.76 -85.91 0.01 OUTLIER 'General case' 0 CA--C 1.528 0.12 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.706 179.534 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 126' ' ' ARG . 7.1 ptp180 -132.35 -154.47 0.62 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.76 -44.41 0.48 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 118.965 0.802 . . . . 0.0 111.191 179.693 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -168.29 101.16 0.17 Allowed Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.394 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 12.9 t . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.175 -0.917 . . . . 0.0 110.714 179.735 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 N--CA 1.484 1.26 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -111.78 22.31 15.09 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 121.007 0.432 . . . . 0.0 110.879 178.694 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -149.79 45.61 0.93 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.841 179.186 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -168.65 48.57 0.22 Allowed Glycine 0 N--CA 1.451 -0.357 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.85 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.417 ' O ' ' HA ' ' A' ' 79' ' ' ALA . 10.4 mm100 -77.42 177.24 8.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.784 0.326 . . . . 0.0 111.2 -179.561 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 37.6 mt -118.14 152.61 35.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.713 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 48.6 t -45.95 151.2 0.49 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.955 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 31.3 p -113.84 23.71 12.77 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -179.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 96.8 mt -104.61 150.93 24.24 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 178.394 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 78.7 mtp180 -117.6 119.55 35.33 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.781 0.324 . . . . 0.0 111.045 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -96.08 113.26 24.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.876 179.026 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 58.23 24.15 11.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.456 -178.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 96.57 -6.55 65.3 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.879 -0.677 . . . . 0.0 113.156 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -95.58 126.04 40.59 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.16 0.505 . . . . 0.0 111.302 -179.544 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.6 tpp85 -65.84 115.1 5.6 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.556 -0.747 . . . . 0.0 112.26 -178.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 51.4 t -55.08 114.07 1.62 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.228 179.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -94.72 55.17 1.95 Allowed Glycine 0 CA--C 1.519 0.293 0 C-N-CA 120.673 -0.775 . . . . 0.0 113.329 -179.124 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 55.0 ttt85 -127.93 146.56 50.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.757 0.313 . . . . 0.0 110.533 179.197 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.417 ' HA ' ' O ' ' A' ' 65' ' ' GLN . . . -55.68 135.92 51.0 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.935 -179.31 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.21 147.17 48.53 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.099 179.095 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -96.17 -130.38 6.36 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.559 -0.829 . . . . 0.0 113.851 -178.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -121.19 -12.83 8.62 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 -178.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.441 ' HB2' ' HD2' ' A' ' 116' ' ' LYS . . . -71.53 171.12 11.94 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.939 0.4 . . . . 0.0 111.461 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 69.9 p -139.74 125.26 19.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.944 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -51.67 137.04 26.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.093 179.285 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -144.56 -158.75 0.91 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.795 -179.255 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.1 mttp -80.32 -51.58 8.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 112.094 178.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 5.6 tmm_? -51.17 -36.89 43.35 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.968 -179.136 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.597 HG23 HG21 ' A' ' 119' ' ' ILE . 47.9 mt -69.34 -39.04 78.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 179.077 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.99 -49.16 78.57 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 178.337 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.439 ' HA ' ' HE3' ' A' ' 91' ' ' LYS . 0.0 OUTLIER -59.63 -38.14 80.54 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 114.928 -1.033 . . . . 0.0 110.074 179.384 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.425 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 41.2 t -62.09 -50.69 70.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.82 178.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 88.4 mt -58.36 -40.83 79.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.452 179.305 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 73.4 m -62.51 -36.64 83.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.065 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 9.0 tp60 -70.55 -25.05 62.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.893 0.377 . . . . 0.0 110.198 179.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.438 ' HE3' ' HA ' ' A' ' 119' ' ' ILE . 32.7 mttm -82.7 -41.86 18.79 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.405 178.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.433 ' HB2' ' O ' ' A' ' 96' ' ' LYS . 0.1 OUTLIER 72.6 69.83 0.13 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.298 -0.865 . . . . 0.0 109.322 -177.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 33.7 m -132.46 172.62 16.09 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.374 -179.167 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 16.1 mmtm -93.95 66.93 3.67 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.458 -179.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 54.1 mt -138.38 98.3 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.359 179.244 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -123.42 175.08 6.95 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.876 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 33.6 tp -89.86 136.29 33.13 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.292 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -80.59 155.15 27.04 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 178.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 8.5 mttm -104.12 -24.23 13.2 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 120.368 -0.533 . . . . 0.0 111.51 -179.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 7.8 p -70.94 -16.82 62.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.648 0.261 . . . . 0.0 110.937 179.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -66.06 -165.78 0.03 OUTLIER 'General case' 0 C--O 1.231 0.091 0 CA-C-O 120.96 0.41 . . . . 0.0 111.757 -179.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.1 -67.42 0.39 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.886 -179.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 27.4 p80 -74.86 153.8 38.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.956 -179.06 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 93.9 mt -111.05 77.99 1.08 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.593 179.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -142.75 129.55 20.48 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.267 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 19.1 pt -105.11 168.11 2.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.984 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 14.0 p -84.53 167.79 16.02 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.666 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.33 -31.42 72.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.072 0.463 . . . . 0.0 110.267 179.679 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 58.1 t80 -56.63 -61.99 2.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.457 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 19.7 m80 -65.98 -39.28 90.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.527 -179.133 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.441 ' HD2' ' HB2' ' A' ' 83' ' ' ALA . 0.6 OUTLIER -54.2 -44.63 71.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.985 0.421 . . . . 0.0 110.449 179.801 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -73.82 -37.5 64.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.937 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.454 HD23 ' O ' ' A' ' 118' ' ' LEU . 7.5 tt -61.67 -37.33 83.71 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.558 -179.381 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.597 HG21 HG23 ' A' ' 89' ' ' ILE . 53.5 mt -90.23 -53.56 8.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 -177.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -61.17 -30.83 70.64 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 -178.247 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -102.09 45.1 0.98 Allowed 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 114.5 1.296 . . . . 0.0 114.5 -176.294 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 118' ' ' LEU . 81.9 t -122.6 -44.04 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 177.588 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 9.6 mtm-85 -91.17 48.09 1.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 178.425 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 19.7 p-10 -122.75 -32.85 3.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.573 -179.305 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -134.16 178.87 6.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.431 0.634 . . . . 0.0 111.947 -178.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 3.0 mtp180 -119.58 23.07 11.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.096 -0.956 . . . . 0.0 110.023 179.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 4.1 mmtp -147.6 108.4 4.18 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.393 -179.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 11.7 ptp85 -78.1 170.42 16.65 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 178.279 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 26.8 tttp -124.24 -20.28 5.3 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 121.026 -0.27 . . . . 0.0 111.504 179.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 125.87 125.38 2.87 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.811 -0.709 . . . . 0.0 111.836 -179.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.338 -0.839 . . . . 0.0 110.828 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.5 t . . . . . 0 N--CA 1.484 1.229 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -111.53 131.66 55.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.919 0.39 . . . . 0.0 110.054 178.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -139.95 -31.4 0.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.708 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -86.45 44.34 3.32 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.615 -0.803 . . . . 0.0 112.71 179.579 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -73.63 -172.58 1.26 Allowed 'General case' 0 CA--C 1.518 -0.267 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.416 ' HA ' ' HA ' ' A' ' 79' ' ' ALA . 4.1 mp -117.44 137.63 52.38 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-O 121.395 0.617 . . . . 0.0 112.317 179.785 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 24.6 t -45.25 142.72 1.94 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 114.926 -1.034 . . . . 0.0 111.404 -179.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 20.5 p -106.31 11.49 30.98 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.831 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.46 HD23 ' HA ' ' A' ' 102' ' ' LEU . 53.6 mt -98.97 162.9 12.82 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.86 0.362 . . . . 0.0 110.174 178.123 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.454 ' HG2' ' HD3' ' A' ' 75' ' ' ARG . 35.7 mtp180 -122.54 143.09 49.95 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.812 -179.732 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -124.45 110.61 14.73 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.068 179.061 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 59.04 25.18 13.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.663 -179.177 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 102.22 -10.07 56.51 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.787 -0.72 . . . . 0.0 113.245 179.586 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.409 ' OE1' ' HA ' ' A' ' 74' ' ' GLU . 3.7 mm-40 -94.55 135.25 36.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 117.025 0.412 . . . . 0.0 111.472 -179.701 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.517 ' O ' ' N ' ' A' ' 77' ' ' GLY . 0.5 OUTLIER -78.62 58.89 2.35 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.473 -179.327 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 3.8 t 44.73 -76.94 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 179.1 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 105.23 -37.4 3.83 Favored Glycine 0 N--CA 1.451 -0.361 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -178.686 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 31.7 ttt180 -65.43 150.39 48.42 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 178.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.416 ' HA ' ' HA ' ' A' ' 66' ' ' LEU . . . -71.52 162.69 29.05 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.295 -179.128 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -80.76 146.29 31.07 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.301 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -111.78 -142.54 8.83 Favored Glycine 0 C--N 1.334 0.428 0 C-N-CA 120.737 -0.744 . . . . 0.0 113.995 -179.013 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -97.11 24.21 6.56 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -178.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.762 ' HB2' ' HD3' ' A' ' 116' ' ' LYS . . . -113.4 153.16 29.04 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.026 0.441 . . . . 0.0 111.525 -179.753 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 69.2 p -122.99 152.31 41.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.604 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -90.7 116.48 28.6 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.011 179.239 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 96.5 p -118.3 -168.09 1.47 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.032 -179.386 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.14 -34.2 49.95 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.869 178.39 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.28 -46.53 83.03 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 120.774 0.321 . . . . 0.0 110.619 179.68 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.734 HG23 HG21 ' A' ' 119' ' ' ILE . 87.5 mt -65.55 -33.81 66.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.085 0.469 . . . . 0.0 110.046 179.028 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.27 -48.5 75.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.485 0.659 . . . . 0.0 109.523 178.767 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.13 -43.24 99.19 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.714 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.5 m -59.14 -49.84 76.32 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 178.456 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.402 ' HA ' ' HD3' ' A' ' 96' ' ' LYS . 57.0 mt -56.92 -35.83 48.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.736 178.688 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 40.8 m -62.96 -43.31 99.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.958 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -68.92 -35.12 76.45 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.133 0.492 . . . . 0.0 109.993 179.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.402 ' HD3' ' HA ' ' A' ' 93' ' ' ILE . 26.0 mtpt -73.68 -33.97 64.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.905 178.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 55.42 59.94 3.64 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.402 -178.689 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 31.3 m -108.12 172.85 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.378 -179.278 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 23.6 mtmm -85.63 58.84 5.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.049 0.452 . . . . 0.0 111.399 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 64.7 mt -138.06 125.75 29.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.045 179.034 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -153.09 149.75 28.41 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.785 -179.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.692 HD12 ' H ' ' A' ' 103' ' ' ASP . 32.0 tp -60.55 142.97 54.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.294 0.568 . . . . 0.0 112.023 -179.313 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.692 ' H ' HD12 ' A' ' 102' ' ' LEU . 41.4 t0 -99.87 137.01 38.93 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 177.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 38.0 mmtm -96.29 -20.33 18.61 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -178.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 82.8 p -55.22 -21.31 13.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.667 0.27 . . . . 0.0 111.229 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -75.26 175.13 8.63 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.23 0.538 . . . . 0.0 112.211 -179.253 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.12 -27.04 8.53 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.498 179.544 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 11.6 p80 -125.58 176.64 6.72 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.405 -179.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 94.6 mt -101.07 -121.46 0.16 Allowed 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.411 178.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 63.04 119.97 0.02 OUTLIER 'General case' 0 N--CA 1.456 -0.174 0 CA-C-O 121.134 0.492 . . . . 0.0 111.687 179.316 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 28.0 pt -113.25 156.47 14.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.292 179.299 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 17.4 p -73.51 165.6 24.77 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.722 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -66.16 -27.8 68.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.307 179.499 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 93.6 t80 -56.53 -61.68 2.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.539 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 24.3 m170 -65.2 -36.44 84.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.619 -179.24 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.762 ' HD3' ' HB2' ' A' ' 83' ' ' ALA . 9.5 ttpp -56.84 -53.11 61.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.001 0.429 . . . . 0.0 110.543 179.786 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -66.44 -43.22 86.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.199 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.56 ' O ' HG23 ' A' ' 122' ' ' VAL . 6.7 tt -58.6 -44.21 89.79 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.779 -179.263 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.734 HG21 HG23 ' A' ' 89' ' ' ILE . 74.8 mt -78.13 -53.22 14.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 113.14 0.793 . . . . 0.0 113.14 -178.078 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -57.68 -41.12 80.93 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 -178.403 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 82.9 p -76.76 4.1 10.37 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 114.48 1.289 . . . . 0.0 114.48 -175.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 118' ' ' LEU . 98.3 t -88.53 -32.32 5.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 118.459 0.572 . . . . 0.0 110.158 178.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 59.1 mtp180 -107.38 -14.37 14.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.499 178.147 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 63.4 t30 48.33 53.79 11.36 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 121.095 0.474 . . . . 0.0 110.287 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -82.34 -95.54 0.05 Allowed 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.494 -178.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 3.5 ttm-85 -88.25 178.15 6.68 Favored 'General case' 0 N--CA 1.457 -0.113 0 O-C-N 121.995 -0.441 . . . . 0.0 109.973 179.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 4.9 tmtp? -172.91 149.5 1.92 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.098 0.475 . . . . 0.0 111.114 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 10.1 ptt180 -92.87 -177.52 4.54 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 178.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.402 ' HG3' ' N ' ' A' ' 130' ' ' GLY . 0.0 OUTLIER -152.35 -34.16 0.13 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.727 0.299 . . . . 0.0 111.211 179.668 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . 0.402 ' N ' ' HG3' ' A' ' 129' ' ' LYS . . . -165.31 -142.23 3.36 Favored Glycine 0 N--CA 1.446 -0.657 0 N-CA-C 111.427 -0.669 . . . . 0.0 111.427 178.785 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.915 179.265 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 83.0 p . . . . . 0 N--CA 1.482 1.163 0 N-CA-C 111.661 0.245 . . . . 0.0 111.661 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -145.4 -39.16 0.25 Allowed 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.349 179.134 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -129.68 5.14 5.06 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.418 177.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -140.81 64.32 0.52 Allowed Glycine 0 C--N 1.337 0.585 0 C-N-CA 121.166 -0.54 . . . . 0.0 111.772 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -80.45 -173.84 4.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.961 0.41 . . . . 0.0 111.065 -179.639 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 16.6 mt -121.47 160.11 24.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.537 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 43.7 t -63.39 158.5 20.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.615 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 88.7 m -121.66 36.09 4.71 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -178.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 77.3 mt -121.12 152.05 39.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.701 0.286 . . . . 0.0 110.305 178.197 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 50.6 mtp85 -123.53 121.58 36.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.064 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -103.63 118.49 36.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.249 179.181 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 54.9 49.86 16.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.687 -179.371 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 64.42 10.56 43.27 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.934 -0.65 . . . . 0.0 113.077 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -114.1 125.62 54.18 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 121.033 0.444 . . . . 0.0 111.021 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.5 tpt180 -66.6 134.21 51.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.649 -0.705 . . . . 0.0 112.083 -178.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 42.5 t -52.7 -68.51 0.16 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.594 179.399 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 85.51 -12.44 58.92 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.689 -0.767 . . . . 0.0 113.206 179.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 58.1 ttt85 -71.8 141.85 49.67 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.853 0.359 . . . . 0.0 110.641 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.02 134.69 43.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.775 -179.446 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.83 155.01 28.11 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.008 179.074 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -113.12 -112.5 3.11 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.21 -0.995 . . . . 0.0 113.805 -178.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -126.21 -17.39 5.24 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -178.45 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -83.68 162.12 20.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.156 0.503 . . . . 0.0 112.078 -178.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 83.0 p -124.41 157.53 34.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.448 179.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -80.52 122.39 26.97 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.739 179.3 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 54.4 p -128.6 -169.07 2.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.205 0.526 . . . . 0.0 111.635 -179.07 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 29.7 mttp -78.04 -39.8 40.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.381 179.159 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.475 ' NE ' HG13 ' A' ' 89' ' ' ILE . 0.0 OUTLIER -53.32 -42.96 67.23 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.324 179.588 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.875 HG23 HG21 ' A' ' 119' ' ' ILE . 14.6 mt -69.48 -32.23 52.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.132 179.172 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.85 -46.39 85.24 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 178.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.2 tptp -64.3 -43.37 94.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.481 178.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 13.6 t -56.38 -42.34 77.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.163 179.193 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 63.0 mt -68.58 -47.14 78.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.431 179.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 9.9 t -56.73 -37.57 71.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.036 -179.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -70.2 -41.06 74.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.989 0.423 . . . . 0.0 109.954 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.564 ' HE2' HG11 ' A' ' 122' ' ' VAL . 4.3 mtpm? -69.32 -35.06 75.57 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.425 179.103 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 17.1 mmtp 65.38 80.37 0.23 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.62 -178.555 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 17.1 m -141.31 171.2 12.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.089 -179.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.8 mttp -90.02 70.42 7.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.152 0.501 . . . . 0.0 111.459 -179.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 61.3 mt -137.8 118.5 16.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.199 179.234 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -148.51 172.33 14.67 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.611 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 41.9 tp -85.52 144.93 27.64 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.631 -179.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -99.84 127.91 45.97 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 178.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 5.6 mmtp -75.13 -3.08 30.71 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -178.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 51.8 p -79.8 -21.1 44.7 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 121.106 -0.237 . . . . 0.0 111.115 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -77.98 -163.53 0.43 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.873 0.368 . . . . 0.0 111.744 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -141.87 -73.53 0.31 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.331 -179.479 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -66.44 166.27 12.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.619 -178.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 23.7 mt -116.94 82.73 1.85 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.708 178.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -144.07 113.24 6.86 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.303 -179.184 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 25.8 pt -98.56 156.48 3.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.171 -179.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 21.5 p -69.08 164.17 23.1 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.464 179.531 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -64.91 -40.21 94.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.051 0.453 . . . . 0.0 110.594 179.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -47.7 -60.29 2.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.14 -179.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -61.81 -42.37 98.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.632 -179.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 10.0 ttpp -50.7 -47.63 58.94 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.103 0.478 . . . . 0.0 110.612 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -68.72 -46.4 69.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.186 -179.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.64 HD23 ' O ' ' A' ' 118' ' ' LEU . 6.7 tt -55.91 -38.29 70.05 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.773 -179.453 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.875 HG21 HG23 ' A' ' 89' ' ' ILE . 57.6 mt -87.85 -55.05 6.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 113.515 0.932 . . . . 0.0 113.515 -177.771 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -61.24 -44.47 97.2 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 114.045 1.128 . . . . 0.0 114.045 -177.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.419 ' O ' ' ND2' ' A' ' 124' ' ' ASN . 8.2 t -68.1 7.3 0.58 Allowed 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 114.663 1.357 . . . . 0.0 114.663 -176.071 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.564 HG11 ' HE2' ' A' ' 96' ' ' LYS . 75.6 t -87.16 -53.28 10.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 118.527 0.603 . . . . 0.0 110.274 178.271 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 14.2 mtp180 -90.35 -12.18 38.44 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.934 178.561 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . 0.419 ' ND2' ' O ' ' A' ' 121' ' ' SER . 1.6 m120 49.68 80.83 0.06 Allowed 'General case' 0 C--O 1.231 0.085 0 CA-C-O 120.79 0.329 . . . . 0.0 110.253 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.28 101.2 7.03 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.91 -178.657 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -129.67 23.47 5.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.25 178.497 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 58.62 76.16 0.36 Allowed 'General case' 0 N--CA 1.461 0.124 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.37 179.697 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.87 -171.11 3.84 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.247 178.512 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.67 -86.98 0.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.316 -0.554 . . . . 0.0 111.739 -179.056 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 104.78 33.76 3.71 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.437 -0.887 . . . . 0.0 112.384 -178.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 12.0 p . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.318 -0.849 . . . . 0.0 110.79 179.702 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.4 ' OG ' ' N ' ' A' ' 62' ' ' ASN . 83.6 p . . . . . 0 N--CA 1.484 1.225 0 N-CA-C 111.609 0.225 . . . . 0.0 111.609 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.4 ' N ' ' OG ' ' A' ' 61' ' ' SER . 0.2 OUTLIER -113.74 -29.13 7.2 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.472 -179.5 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -114.12 27.28 9.62 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.058 0.456 . . . . 0.0 110.065 178.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -142.09 71.32 0.41 Allowed Glycine 0 N--CA 1.45 -0.384 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.959 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 -102.39 -159.54 0.73 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.781 0.324 . . . . 0.0 110.751 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 19.7 mt -127.48 147.35 50.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.615 179.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.423 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 20.1 t -54.18 142.59 25.31 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.665 179.649 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 94.0 m -106.7 36.89 2.48 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 112.095 0.405 . . . . 0.0 112.095 -179.002 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.413 HD11 HG21 ' A' ' 111' ' ' ILE . 40.3 mt -128.63 160.37 32.66 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 178.487 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 64.4 mtp85 -129.09 125.57 37.47 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.871 0.367 . . . . 0.0 111.127 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.406 ' O ' ' HB2' ' A' ' 72' ' ' ASP . 31.8 tt0 -105.61 112.8 26.02 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.857 179.037 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.406 ' HB2' ' O ' ' A' ' 71' ' ' GLU . 0.6 OUTLIER 68.39 41.87 1.73 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.699 -179.037 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 66.29 7.59 39.73 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.941 -0.647 . . . . 0.0 113.011 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -118.1 130.74 56.31 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.912 0.386 . . . . 0.0 110.431 -179.47 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.7 tpt180 -54.75 141.06 33.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.992 -0.549 . . . . 0.0 112.172 -178.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.423 ' HB3' ' HB3' ' A' ' 67' ' ' CYS . 6.8 t -58.75 -57.47 12.88 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.458 179.491 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 86.96 -15.79 51.08 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.86 -0.686 . . . . 0.0 113.128 179.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.402 ' HD3' ' HB2' ' A' ' 112' ' ' CYS . 49.4 ttt85 -80.65 131.57 35.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.769 0.319 . . . . 0.0 110.593 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.416 ' O ' ' HB3' ' A' ' 112' ' ' CYS . . . -47.31 153.0 0.54 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.612 -179.647 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.88 155.37 40.66 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.208 179.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -104.52 -112.27 3.69 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.349 -0.929 . . . . 0.0 113.73 -178.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -128.91 -37.59 1.71 Allowed 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 -178.512 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.11 171.88 5.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.235 0.54 . . . . 0.0 112.114 -178.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 96.1 p -134.63 143.9 47.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.697 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -63.81 130.25 43.39 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.004 179.312 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 60.6 p -136.08 -164.1 1.5 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.063 0.459 . . . . 0.0 111.28 -179.153 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.8 mttp -78.89 -47.34 16.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.976 178.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.68 -40.42 62.89 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.505 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.708 HG23 HG21 ' A' ' 119' ' ' ILE . 47.3 mt -68.68 -31.95 53.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.022 0.439 . . . . 0.0 110.075 178.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.67 -39.13 84.51 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.401 178.695 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 22.3 tptp -66.03 -47.67 73.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.619 178.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.44 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 43.3 t -55.78 -46.18 77.99 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.764 178.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 78.1 mt -65.35 -36.37 77.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.352 179.232 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 24.5 t -64.86 -40.46 95.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.309 -179.417 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -73.52 -43.32 60.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.756 0.312 . . . . 0.0 110.336 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.44 ' HG3' ' O ' ' A' ' 92' ' ' SER . 16.1 mtpp -64.92 -31.1 72.17 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.154 0.502 . . . . 0.0 109.674 178.645 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 3.3 mmtt 55.89 80.34 0.14 Allowed 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.973 -178.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 15.7 m -128.74 172.12 15.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.856 -179.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 23.0 mttp -90.52 60.24 4.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.02 0.438 . . . . 0.0 111.349 -179.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 68.3 mt -128.17 112.87 28.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.049 179.081 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -130.68 160.4 34.37 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.812 -179.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -85.24 123.58 30.89 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.75 -179.306 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -76.17 109.43 9.83 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 178.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 22.7 mttp -67.82 -7.88 31.42 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.512 0.56 . . . . 0.0 112.512 -178.293 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 87.8 p -70.6 -30.76 67.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.881 0.372 . . . . 0.0 110.662 179.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -69.37 -170.7 0.29 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.995 -179.265 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -131.21 -79.17 0.52 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.404 -179.594 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 28.9 p80 -54.54 160.42 1.78 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.134 0.492 . . . . 0.0 111.659 -179.192 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 85.9 mt -116.27 81.41 1.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.343 179.215 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -144.61 119.43 9.89 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.498 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.413 HG21 HD11 ' A' ' 69' ' ' LEU . 44.2 pt -100.09 158.82 3.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.985 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . 0.416 ' HB3' ' O ' ' A' ' 79' ' ' ALA . 7.9 p -70.51 168.14 16.88 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.686 179.658 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -67.41 -31.12 71.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.22 0.533 . . . . 0.0 110.181 179.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.403 ' O ' ' HB2' ' A' ' 118' ' ' LEU . 55.6 t80 -54.37 -57.64 10.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.102 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 16.7 m170 -70.68 -35.89 73.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.733 -179.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.415 ' O ' ' HB2' ' A' ' 120' ' ' GLN . 15.7 ttpp -55.55 -53.22 59.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.916 0.389 . . . . 0.0 110.432 179.665 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -70.34 -37.38 74.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.356 -179.402 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.635 HD23 ' O ' ' A' ' 118' ' ' LEU . 5.4 tt -63.12 -34.24 77.19 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.754 -179.227 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.708 HG21 HG23 ' A' ' 89' ' ' ILE . 62.6 mt -95.09 -44.48 13.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 113.296 0.85 . . . . 0.0 113.296 -177.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.415 ' HB2' ' O ' ' A' ' 116' ' ' LYS . 3.2 mt-30 -57.86 -42.22 84.04 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 -178.538 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.409 ' HA ' ' ND2' ' A' ' 124' ' ' ASN . 8.0 t -81.83 49.11 1.3 Allowed 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 114.593 1.331 . . . . 0.0 114.593 -175.579 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 93.4 t -125.16 -39.31 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 177.418 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 41.3 mtp180 -104.11 -23.74 13.26 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.357 177.219 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . 0.409 ' ND2' ' HA ' ' A' ' 121' ' ' SER . 4.7 m120 46.87 30.26 1.18 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.654 179.724 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.87 112.93 22.23 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -178.443 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 3.0 ttp180 -141.0 18.38 2.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.966 178.148 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 60.9 92.55 0.05 OUTLIER 'General case' 0 C--O 1.23 0.06 0 CA-C-O 121.191 0.519 . . . . 0.0 112.176 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -163.96 -155.35 0.3 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.029 178.79 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.17 -84.78 0.66 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 118.507 0.594 . . . . 0.0 111.635 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 110.86 47.12 0.79 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.128 -178.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.2 p . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.286 -0.864 . . . . 0.0 110.849 179.737 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.1 t . . . . . 0 N--CA 1.481 1.102 0 CA-C-O 119.931 -0.08 . . . . 0.0 111.069 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -131.08 144.68 51.6 Favored 'General case' 0 C--N 1.339 0.15 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 -178.149 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -149.65 111.34 4.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.35 -1.295 . . . . 0.0 108.428 177.965 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 104.21 61.26 0.67 Allowed Glycine 0 N--CA 1.45 -0.376 0 N-CA-C 110.698 -0.961 . . . . 0.0 110.698 -177.927 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 67.4 mm-40 -63.26 169.49 3.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.214 0.531 . . . . 0.0 112.287 -178.617 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 40.0 mt -111.14 147.27 35.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.435 179.494 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 51.3 t -45.95 160.76 0.06 Allowed 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.012 179.887 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 28.8 p -127.84 34.48 4.62 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -179.628 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 95.9 mt -117.59 161.37 19.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.72 0.295 . . . . 0.0 110.431 177.647 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 24.7 mtp180 -120.99 106.57 11.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.122 -179.731 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -84.83 110.45 18.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.293 -0.412 . . . . 0.0 109.977 179.26 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 64.84 44.2 3.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.628 -179.172 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 67.63 5.51 37.91 Favored Glycine 0 CA--C 1.52 0.347 0 C-N-CA 120.943 -0.646 . . . . 0.0 113.013 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -117.2 125.31 50.98 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-O 121.013 0.435 . . . . 0.0 110.907 -179.496 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.6 tpp85 -42.88 157.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.949 -179.233 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 30.7 t -85.66 -71.46 0.53 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.23 179.304 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 99.42 -41.44 2.19 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.926 179.494 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 57.5 ttt85 -47.3 140.03 5.83 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.845 0.355 . . . . 0.0 110.975 179.942 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.13 160.77 0.71 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.566 -179.523 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -96.18 150.38 20.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.064 179.01 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -106.02 -104.91 2.98 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.34 -0.933 . . . . 0.0 113.644 -178.928 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -132.69 -9.27 3.17 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -178.763 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.447 ' HB2' ' HD3' ' A' ' 116' ' ' LYS . . . -77.0 159.97 29.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.116 0.484 . . . . 0.0 112.016 -178.733 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.5 p -133.11 136.56 45.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.475 179.597 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -70.72 132.34 45.23 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.048 179.315 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -137.42 -158.14 0.84 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.001 -179.686 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.32 -38.04 27.37 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 178.03 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -52.59 -50.37 63.17 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.041 0.448 . . . . 0.0 111.247 -179.364 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.688 HG23 HG21 ' A' ' 119' ' ' ILE . 30.1 mt -57.29 -39.76 69.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.123 -179.618 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -59.72 -44.86 93.56 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 178.814 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.8 tptm -56.7 -51.79 67.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.459 178.366 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.427 ' HA ' ' NE ' ' A' ' 123' ' ' ARG . 0.3 OUTLIER -52.75 -50.45 63.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.196 179.732 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 90.9 mt -57.32 -47.02 85.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.475 179.176 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 34.9 m -57.17 -41.24 78.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.265 -179.75 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -73.71 -28.39 61.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.042 0.449 . . . . 0.0 110.423 179.568 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.48 ' HE3' HG21 ' A' ' 122' ' ' VAL . 32.0 mttp -78.8 -46.11 19.47 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.73 179.322 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.446 ' HB2' ' O ' ' A' ' 96' ' ' LYS . 17.2 mmtt 72.7 84.6 0.12 Allowed 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.705 -178.049 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 27.6 m -146.66 161.12 9.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.991 -179.3 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.9 62.84 3.46 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.915 0.388 . . . . 0.0 111.34 -179.796 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 74.4 mt -133.37 113.13 18.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.269 179.13 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -144.72 156.54 44.12 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.048 0.451 . . . . 0.0 110.908 -179.928 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 18.1 tp -71.32 145.01 49.75 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.5 -179.929 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -92.72 138.19 31.71 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 177.719 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.24 -23.17 30.55 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 -178.406 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 77.9 p -62.47 -40.48 96.78 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.603 -179.563 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -54.24 -176.35 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.191 0.52 . . . . 0.0 112.078 -179.063 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.35 -64.83 0.92 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.863 -179.329 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 9.2 p80 -73.68 177.1 5.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.678 -179.237 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 44.5 mt -135.11 88.11 2.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.45 179.168 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -147.63 102.71 3.46 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.434 179.654 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 33.5 pt -79.1 169.27 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 -179.947 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 19.2 p -90.82 157.06 17.58 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.611 179.743 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.21 -38.76 54.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.04 0.448 . . . . 0.0 110.545 179.661 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -52.33 -62.28 1.74 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.549 -179.562 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 18.1 m170 -65.78 -33.16 75.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.423 -179.37 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.447 ' HD3' ' HB2' ' A' ' 83' ' ' ALA . 15.8 ttpp -57.36 -53.83 53.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.932 0.396 . . . . 0.0 110.442 179.579 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 24.6 t30 -68.18 -37.79 81.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.114 -179.704 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.499 HD23 ' O ' ' A' ' 118' ' ' LEU . 4.3 tt -60.61 -39.67 89.03 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.726 -179.087 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.688 HG21 HG23 ' A' ' 89' ' ' ILE . 50.9 mt -90.89 -35.32 7.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 113.309 0.855 . . . . 0.0 113.309 -177.867 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.402 ' HB2' ' O ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -68.7 -40.36 80.06 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 -178.606 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 35.1 t -99.14 60.59 1.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 114.728 1.381 . . . . 0.0 114.728 -175.685 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.48 HG21 ' HE3' ' A' ' 96' ' ' LYS . 79.6 t -132.84 -39.47 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 177.145 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.427 ' NE ' ' HA ' ' A' ' 92' ' ' SER . 33.7 mtm105 -107.7 17.62 22.38 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.397 177.032 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -39.23 106.74 0.06 Allowed 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.691 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.29 -27.08 15.15 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.943 -179.72 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 11.1 mtm180 -144.16 9.01 1.44 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.407 178.624 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -84.1 -17.61 39.6 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-O 120.612 0.244 . . . . 0.0 110.359 179.397 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.85 -156.81 0.31 Allowed 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 179.182 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.0 -39.15 2.12 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.978 0.418 . . . . 0.0 110.597 179.091 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 167.83 -71.56 0.16 Allowed Glycine 0 N--CA 1.45 -0.371 0 N-CA-C 111.578 -0.609 . . . . 0.0 111.578 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.19 -0.91 . . . . 0.0 110.444 179.204 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.3 p . . . . . 0 N--CA 1.487 1.393 0 N-CA-C 111.755 0.28 . . . . 0.0 111.755 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -160.45 101.03 1.35 Allowed 'General case' 0 C--O 1.231 0.127 0 CA-C-O 121.17 0.51 . . . . 0.0 111.158 179.296 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -156.54 62.16 0.54 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.935 179.278 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 167.32 64.77 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.436 -179.516 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.438 ' O ' HD23 ' A' ' 66' ' ' LEU . 21.6 mt-30 -108.25 -175.15 2.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.901 0.382 . . . . 0.0 111.248 -179.143 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.438 HD23 ' O ' ' A' ' 65' ' ' GLN . 13.1 mt -135.61 146.94 48.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.715 -179.793 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 48.0 t -45.47 140.17 3.33 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.138 179.744 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.403 ' SG ' ' HB1' ' A' ' 106' ' ' ALA . 1.3 m -107.37 25.59 11.25 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -178.786 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 94.5 mt -107.62 154.99 20.64 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 178.333 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.502 ' HG2' ' HD2' ' A' ' 75' ' ' ARG . 61.0 mtp180 -118.24 112.47 20.14 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.815 0.34 . . . . 0.0 111.386 -179.655 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -100.46 94.72 6.3 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 178.756 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 72.72 42.23 0.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.443 -179.017 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 77.24 -2.37 61.8 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.854 -0.688 . . . . 0.0 113.138 179.832 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -96.8 120.82 37.85 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 121.054 0.454 . . . . 0.0 111.325 -179.622 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.502 ' HD2' ' HG2' ' A' ' 70' ' ' ARG . 8.7 mmm180 -71.28 61.01 0.3 Allowed 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.882 -179.23 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 10.9 t 29.86 -92.55 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 179.331 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 123.34 -35.21 3.41 Favored Glycine 0 C--N 1.336 0.571 0 C-N-CA 120.403 -0.903 . . . . 0.0 113.036 -179.964 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 59.9 ttt180 -61.88 154.83 25.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.78 0.324 . . . . 0.0 110.751 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.85 149.14 50.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.798 -179.469 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.79 145.81 55.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.243 179.135 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -98.89 -119.31 4.15 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.462 -0.875 . . . . 0.0 113.813 -178.833 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.406 ' ND2' ' O ' ' A' ' 82' ' ' ASN . 5.6 t30 -131.27 0.59 4.13 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -178.742 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -95.21 167.24 11.48 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.019 0.437 . . . . 0.0 111.658 -179.389 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.5 m -129.15 152.29 48.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.45 179.796 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -78.65 107.07 11.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.951 0.405 . . . . 0.0 109.92 179.071 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 83.0 p -115.54 -162.71 0.84 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.86 -179.214 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.63 -42.07 25.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.812 0.339 . . . . 0.0 111.62 178.965 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -52.94 -39.34 62.8 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-O 121.068 0.461 . . . . 0.0 110.399 -179.268 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.725 HG23 HG21 ' A' ' 119' ' ' ILE . 21.7 mt -71.39 -38.78 70.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.988 179.227 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -59.97 -51.08 71.18 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 178.923 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.2 tptm -59.02 -42.79 91.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.905 179.012 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.53 ' HA ' ' HG3' ' A' ' 123' ' ' ARG . 39.9 t -56.43 -46.67 80.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.155 179.367 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 94.1 mt -60.02 -47.21 92.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.859 178.906 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.429 ' O ' ' HG2' ' A' ' 97' ' ' LYS . 58.1 m -59.34 -29.38 67.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.362 -179.69 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -79.19 -39.51 33.15 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 179.329 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.49 ' HG2' HG11 ' A' ' 122' ' ' VAL . 3.5 mtpm? -70.76 -37.96 73.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.893 178.85 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.429 ' HG2' ' O ' ' A' ' 94' ' ' SER . 0.3 OUTLIER 61.11 74.09 0.46 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.751 -178.829 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 14.9 m -125.81 176.53 6.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.027 -179.361 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 24.1 mttm -86.28 46.69 1.37 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.305 -179.798 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 67.5 mt -112.06 125.06 69.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.121 179.318 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -138.67 166.99 22.93 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.394 -179.854 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 63.2 tp -102.71 137.46 40.89 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.104 0.478 . . . . 0.0 110.988 178.84 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -94.74 118.25 31.43 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 178.679 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 11.8 mmtp -67.04 -21.69 65.91 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -178.509 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 28.9 p -57.14 -35.84 69.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.776 0.322 . . . . 0.0 111.207 -179.466 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.403 ' HB1' ' SG ' ' A' ' 68' ' ' CYS . . . -58.43 174.95 0.27 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.13 0.49 . . . . 0.0 111.938 -179.239 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 2.1 ttp85 -123.1 -58.48 1.64 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.925 -179.748 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 23.6 p80 -76.33 149.03 37.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.824 -179.168 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 72.0 mt -108.51 63.29 0.61 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.293 179.096 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -126.0 124.65 41.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.426 179.606 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 21.6 pt -107.01 158.0 7.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.077 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 11.3 p -69.71 157.6 36.98 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.693 179.681 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -61.91 -28.25 69.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.023 0.439 . . . . 0.0 110.249 179.601 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -57.76 -61.5 2.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.265 -179.928 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 20.6 m170 -66.07 -33.49 75.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.771 -179.28 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 5.1 ttpp -60.67 -54.16 48.62 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.018 0.437 . . . . 0.0 110.891 179.932 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -65.8 -36.86 84.7 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.254 -179.555 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 6.0 tt -66.11 -39.43 89.93 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.66 -179.263 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.725 HG21 HG23 ' A' ' 89' ' ' ILE . 84.9 mt -78.15 -46.86 25.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -178.345 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -59.84 -30.52 69.01 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 -178.347 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 62.4 m -89.74 28.46 1.33 Allowed 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 115.042 1.497 . . . . 0.0 115.042 -175.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.49 HG11 ' HG2' ' A' ' 96' ' ' LYS . 92.5 t -125.9 -31.63 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.93 178.025 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.53 ' HG3' ' HA ' ' A' ' 92' ' ' SER . 0.0 OUTLIER -87.76 -16.04 35.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.495 178.358 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -117.82 88.08 2.84 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.749 -179.768 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 32.0 mtp85 -152.39 40.55 0.6 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.997 0.427 . . . . 0.0 111.627 179.996 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.46 -29.64 4.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.138 178.266 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.41 96.68 0.06 Allowed 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.055 179.0 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -147.77 -38.43 0.19 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.014 178.768 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 58.98 -89.21 0.02 OUTLIER 'General case' 0 C--O 1.231 0.089 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.006 179.269 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 144.55 -162.5 27.97 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.957 -0.64 . . . . 0.0 111.658 -179.177 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 28.2 t . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.548 -179.788 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 52.9 p . . . . . 0 N--CA 1.483 1.186 0 N-CA-C 111.957 0.354 . . . . 0.0 111.957 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -154.72 65.11 0.66 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.492 0.663 . . . . 0.0 110.624 177.599 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -162.57 -35.33 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.724 -1.125 . . . . 0.0 110.293 179.922 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -83.4 55.97 5.04 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.267 178.65 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -123.41 161.89 23.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.748 0.309 . . . . 0.0 110.525 179.81 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 58.7 mt -112.21 159.67 18.36 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.944 0.402 . . . . 0.0 111.135 -179.892 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 42.7 t -55.18 153.37 6.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.762 179.766 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 98.7 m -116.18 23.27 12.28 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -179.345 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.419 HD11 HG21 ' A' ' 111' ' ' ILE . 75.1 mt -118.5 159.68 23.08 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 178.573 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 39.4 mtp180 -127.2 135.42 50.63 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.819 0.342 . . . . 0.0 111.091 -179.657 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 56.4 tt0 -114.28 108.08 16.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.137 179.148 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 60.82 40.41 15.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.491 -179.375 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 84.05 -7.16 72.15 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.826 -0.702 . . . . 0.0 113.121 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.02 131.99 36.27 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.002 0.43 . . . . 0.0 111.217 -179.662 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.82 61.62 5.98 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 115.839 -0.619 . . . . 0.0 112.05 -178.647 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 35.4 t 31.24 -95.81 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 115.415 -0.812 . . . . 0.0 113.114 178.921 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 122.78 -27.12 6.03 Favored Glycine 0 C--N 1.336 0.539 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.635 -179.578 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.438 ' NH2' ' HB2' ' A' ' 113' ' ' ASP . 41.9 ttt180 -69.62 137.01 51.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.759 0.314 . . . . 0.0 110.763 179.806 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.03 143.47 48.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.685 -179.469 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.03 159.3 4.32 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.955 179.063 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -124.8 -114.55 2.05 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 119.925 -1.131 . . . . 0.0 114.062 -178.782 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 20.3 t30 -126.42 15.62 7.69 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -178.156 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -111.22 150.93 28.86 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.041 0.448 . . . . 0.0 111.526 -179.586 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 24.0 p -123.06 149.96 43.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.771 179.695 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -81.29 120.72 25.28 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.962 179.444 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 61.6 p -126.34 -159.04 0.89 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.407 -178.851 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 32.8 mmtt -79.87 -42.96 23.15 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 121.158 0.504 . . . . 0.0 110.823 179.273 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.8 tmm_? -51.98 -46.04 64.69 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.155 -179.538 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.495 HG23 HG21 ' A' ' 119' ' ' ILE . 20.1 mt -64.62 -38.15 81.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.92 0.391 . . . . 0.0 110.076 179.317 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.11 -48.27 80.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.515 0.674 . . . . 0.0 109.409 178.59 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.14 -47.55 85.73 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 114.899 -1.046 . . . . 0.0 110.185 179.187 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.411 ' OG ' ' NZ ' ' A' ' 96' ' ' LYS . 1.2 t -56.12 -49.19 74.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.891 179.3 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 96.7 mt -58.97 -46.86 91.31 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.465 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.16 179.039 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 7.7 t -55.64 -37.58 68.4 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.352 -179.363 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 28.8 tp60 -72.93 -27.81 62.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.924 0.392 . . . . 0.0 110.373 179.868 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.55 ' HE3' HG21 ' A' ' 122' ' ' VAL . 38.5 mttp -86.06 -41.7 14.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.393 179.274 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 3.9 mmtp 64.77 89.79 0.09 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.833 -178.18 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 15.6 m -137.14 173.12 13.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.301 -179.165 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 6.3 mmtm -87.02 55.78 3.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.481 -179.695 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 64.9 mt -130.24 118.74 44.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.508 179.365 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.8 pm0 -138.57 158.53 44.07 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.06 0.457 . . . . 0.0 110.809 179.752 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.36 123.92 29.54 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.562 -179.572 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.406 ' OD2' ' HB3' ' A' ' 105' ' ' SER . 27.9 t70 -74.46 133.71 42.35 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 178.516 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -85.85 -11.2 53.96 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.265 0.469 . . . . 0.0 112.265 -178.46 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.406 ' HB3' ' OD2' ' A' ' 103' ' ' ASP . 29.2 t -67.76 -22.53 65.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.667 0.27 . . . . 0.0 111.237 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.96 -159.46 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.748 -179.507 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.19 -59.34 0.49 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.16 -179.897 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . 0.43 ' O ' HD23 ' A' ' 109' ' ' LEU . 11.0 p80 -87.34 -172.38 3.9 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.516 -179.011 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.43 HD23 ' O ' ' A' ' 108' ' ' HIS . 84.2 mt -131.95 76.28 1.69 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.811 178.961 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -137.38 110.55 7.82 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.535 -178.969 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.419 HG21 HD11 ' A' ' 69' ' ' LEU . 36.1 pt -93.36 170.07 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.998 -179.747 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 15.3 p -85.78 164.79 17.37 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.419 179.572 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.438 ' HB2' ' NH2' ' A' ' 78' ' ' ARG . 0.7 OUTLIER -63.95 -36.73 84.9 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.963 0.411 . . . . 0.0 110.42 179.528 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -50.07 -61.96 1.85 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.329 -179.886 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 10.3 m80 -62.65 -34.67 77.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.548 -179.152 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.431 ' O ' ' HB2' ' A' ' 120' ' ' GLN . 14.8 ttpp -57.65 -52.98 63.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.911 0.386 . . . . 0.0 110.2 179.54 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 31.1 t-20 -66.34 -38.1 86.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.303 -179.603 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.499 HD23 ' O ' ' A' ' 118' ' ' LEU . 6.3 tt -61.11 -42.66 98.93 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.929 -179.038 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.495 HG21 HG23 ' A' ' 89' ' ' ILE . 66.4 mt -87.17 -51.19 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 113.414 0.894 . . . . 0.0 113.414 -177.814 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.431 ' HB2' ' O ' ' A' ' 116' ' ' LYS . 0.7 OUTLIER -58.37 -41.98 85.96 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 -178.037 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 73.5 m -79.91 27.18 0.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 114.76 1.393 . . . . 0.0 114.76 -175.876 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.55 HG21 ' HE3' ' A' ' 96' ' ' LYS . 98.7 t -100.26 -23.99 4.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.294 178.3 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 1.1 mtm105 -95.4 -15.41 23.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.076 178.226 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -149.77 94.07 2.13 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.835 179.573 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 12.5 mtp180 -67.26 -172.88 0.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.927 -179.097 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 6.4 ttp180 -88.27 127.79 35.47 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.55 179.258 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 24.4 tttm -150.13 158.96 44.71 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.047 0.451 . . . . 0.0 111.103 179.801 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 10.5 mtp180 -127.97 140.78 51.79 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.151 179.61 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.14 -25.1 29.91 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.973 0.416 . . . . 0.0 110.482 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 156.44 -41.09 0.56 Allowed Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 121.006 -0.616 . . . . 0.0 112.057 -179.934 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 58.6 p . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.256 -0.878 . . . . 0.0 111.006 179.847 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 12.9 t . . . . . 0 N--CA 1.485 1.287 0 CA-C-O 121.268 0.556 . . . . 0.0 111.588 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -102.27 54.57 0.79 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.694 179.818 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -169.19 83.42 0.14 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.323 179.395 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 100.57 64.11 0.79 Allowed Glycine 0 N--CA 1.449 -0.462 0 N-CA-C 110.823 -0.911 . . . . 0.0 110.823 -178.134 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 70.9 mm-40 -54.8 179.76 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.314 0.578 . . . . 0.0 112.077 -178.982 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 65.1 mt -125.96 -179.36 4.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.478 179.747 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.488 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 51.6 t -79.28 135.84 36.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.803 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.449 ' HA ' ' NH1' ' A' ' 75' ' ' ARG . 25.8 m -96.04 19.18 12.02 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 -179.289 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.495 HD12 ' ND1' ' A' ' 115' ' ' HIS . 96.2 mt -100.22 163.66 12.3 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 178.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 22.8 mtp180 -130.21 112.84 13.75 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.804 0.335 . . . . 0.0 111.32 -179.618 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -94.79 89.64 5.76 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.767 179.007 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.41 ' OD2' ' HD2' ' A' ' 99' ' ' LYS . 0.6 OUTLIER 63.97 46.95 3.6 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.77 -179.119 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 86.28 -13.83 56.26 Favored Glycine 0 C--N 1.331 0.282 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.964 179.856 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -88.52 123.91 33.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.725 0.263 . . . . 0.0 110.898 -179.813 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.549 ' O ' ' N ' ' A' ' 77' ' ' GLY . 3.5 mmm180 -76.74 57.64 1.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.532 -179.496 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.488 ' HB3' ' HB3' ' A' ' 67' ' ' CYS . 2.9 t 47.27 -71.84 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 179.781 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.549 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 90.87 27.73 18.18 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.948 -0.644 . . . . 0.0 111.674 -179.343 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 59.8 ttt85 -129.71 142.82 50.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.919 0.39 . . . . 0.0 110.945 -179.607 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.07 145.76 29.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.677 -179.613 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.27 164.61 4.1 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.11 179.239 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -119.82 -122.11 2.99 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.125 -1.036 . . . . 0.0 113.992 -178.833 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -120.95 -41.57 2.54 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 -178.201 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.3 167.93 7.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.184 0.516 . . . . 0.0 111.905 -179.067 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 62.9 m -131.22 153.34 49.59 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.466 179.62 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -66.94 138.06 57.0 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 179.295 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 88.6 p -143.93 -169.59 3.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.782 0.325 . . . . 0.0 111.288 -179.243 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -78.9 -48.46 14.58 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.416 178.961 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.6 -38.09 52.94 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.538 -179.669 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.599 HG23 HG21 ' A' ' 119' ' ' ILE . 51.8 mt -68.72 -35.75 71.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 178.857 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -64.79 -44.77 88.88 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-O 121.541 0.686 . . . . 0.0 109.476 178.502 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.72 -41.52 95.42 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 114.914 -1.039 . . . . 0.0 110.246 179.057 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.542 ' HA ' ' HD2' ' A' ' 123' ' ' ARG . 29.2 t -63.64 -44.92 92.43 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.281 178.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 89' ' ' ILE . 95.6 mt -56.92 -49.96 77.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 178.677 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 31.2 t -54.29 -49.63 69.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.184 -179.938 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -49.88 -31.88 13.16 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 121.229 0.538 . . . . 0.0 110.162 179.68 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.496 ' HE3' HG21 ' A' ' 122' ' ' VAL . 3.0 mmtp -90.53 -35.71 14.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.058 178.858 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 63.17 58.21 1.47 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.569 -179.114 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 17.6 m -105.22 171.18 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.357 -179.398 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.41 ' HD2' ' OD2' ' A' ' 72' ' ' ASP . 43.6 mttm -84.83 50.05 1.84 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.423 -179.796 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 60.8 mt -128.72 110.11 20.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.916 179.312 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -145.99 151.37 37.67 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.365 179.815 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 50.3 tp -61.65 141.45 57.81 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.203 0.525 . . . . 0.0 111.69 -179.562 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -92.59 141.59 28.32 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.358 -0.978 . . . . 0.0 108.358 178.153 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -83.81 -12.37 55.73 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -178.967 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.7 p -72.46 -16.54 61.81 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 121.03 -0.268 . . . . 0.0 111.085 179.755 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -82.51 175.24 10.36 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 121.053 0.454 . . . . 0.0 111.765 -179.528 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 29.6 mtt180 -124.62 -68.16 0.87 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.088 -179.457 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 24.6 p80 -63.15 -173.3 0.05 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.003 -179.716 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 49.6 mt -144.59 80.01 1.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.189 0.519 . . . . 0.0 110.345 179.129 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -142.62 102.99 4.16 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.875 -179.6 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 36.6 pt -83.92 170.12 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.97 -179.892 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 11.8 p -80.26 172.27 13.99 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.396 179.606 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -73.4 -36.84 66.07 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.062 0.458 . . . . 0.0 110.384 179.52 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 78.1 t80 -52.82 -57.5 9.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.452 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . 0.495 ' ND1' HD12 ' A' ' 69' ' ' LEU . 16.3 m170 -66.84 -38.29 86.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.647 -179.399 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.24 -50.67 68.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.045 0.45 . . . . 0.0 110.538 179.613 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -70.1 -39.87 75.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.832 -179.753 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 8.2 tt -61.19 -38.36 86.27 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.952 -0.567 . . . . 0.0 112.044 -178.972 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.599 HG21 HG23 ' A' ' 89' ' ' ILE . 72.3 mt -90.7 -45.54 14.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 113.218 0.821 . . . . 0.0 113.218 -177.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -50.68 -43.75 57.56 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 -178.471 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.59 36.71 0.32 Allowed 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 114.865 1.432 . . . . 0.0 114.865 -175.594 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.496 HG21 ' HE3' ' A' ' 96' ' ' LYS . 98.2 t -117.93 -35.12 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 177.794 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.542 ' HD2' ' HA ' ' A' ' 92' ' ' SER . 76.0 mtp180 -108.63 60.39 0.6 Allowed 'General case' 0 C--O 1.231 0.125 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.461 177.206 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 18.0 t30 -156.55 84.35 0.97 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.665 179.64 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 15.7 mmm-85 -119.25 97.52 5.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.08 -0.509 . . . . 0.0 112.033 -178.64 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 11.0 ttp-105 -139.92 42.47 1.96 Allowed 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 178.574 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.459 ' HA ' ' HA ' ' A' ' 131' ' ' SER . 2.9 tppp? -89.44 123.97 34.06 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.857 -179.273 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.68 -67.55 0.72 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.26 178.425 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt -106.77 -14.83 14.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.158 178.946 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 168.22 56.37 0.03 OUTLIER Glycine 0 C--N 1.336 0.529 0 C-N-CA 121.064 -0.588 . . . . 0.0 112.141 179.934 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . 0.459 ' HA ' ' HA ' ' A' ' 127' ' ' LYS . 6.6 t . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.768 179.875 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.7 t . . . . . 0 N--CA 1.479 1.014 0 CA-C-O 121.122 0.487 . . . . 0.0 111.489 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -102.46 -27.16 12.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.371 -178.01 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -129.15 70.1 1.41 Allowed 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 178.758 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 143.54 58.93 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.406 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.131 -178.907 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -62.83 -175.68 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.298 0.571 . . . . 0.0 111.721 -179.177 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 87.9 mt -114.15 151.44 32.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.428 179.552 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.43 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 46.5 t -56.51 139.32 49.82 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.803 179.728 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 2.0 m -102.92 27.21 7.27 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 112.219 0.452 . . . . 0.0 112.219 -179.304 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 94.5 mt -113.68 163.06 15.48 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 178.183 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.44 ' HA ' ' O ' ' A' ' 74' ' ' GLU . 31.4 mtp180 -128.66 108.78 10.77 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.886 -0.326 . . . . 0.0 111.433 -179.751 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -99.24 106.43 18.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.057 179.183 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 66.47 42.04 3.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.846 -179.161 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 78.52 -6.65 51.94 Favored Glycine 0 CA--C 1.52 0.346 0 C-N-CA 120.956 -0.64 . . . . 0.0 113.412 179.624 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.44 ' O ' ' HA ' ' A' ' 70' ' ' ARG . 5.5 mm-40 -96.05 135.29 38.02 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 117.095 0.448 . . . . 0.0 111.022 -179.628 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.545 ' O ' ' N ' ' A' ' 77' ' ' GLY . 15.5 mmm-85 -82.39 54.84 2.71 Favored 'General case' 0 C--O 1.225 -0.207 0 C-N-CA 120.841 -0.344 . . . . 0.0 111.405 -179.339 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.43 ' HB3' ' HB3' ' A' ' 67' ' ' CYS . 0.5 OUTLIER 49.03 -64.23 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 179.539 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.545 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 90.87 -13.68 65.32 Favored Glycine 0 N--CA 1.449 -0.466 0 N-CA-C 111.336 -0.706 . . . . 0.0 111.336 -178.388 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 20.5 ttt180 -84.71 163.19 19.34 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 120.72 0.295 . . . . 0.0 110.361 179.769 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -83.2 152.12 25.36 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.595 -179.437 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.81 153.59 41.84 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.004 178.939 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -114.99 -131.38 5.04 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.203 -0.999 . . . . 0.0 114.109 -178.547 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -104.32 -29.26 10.88 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -178.177 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.495 ' HB2' ' CD ' ' A' ' 116' ' ' LYS . . . -62.95 172.85 1.56 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.098 0.475 . . . . 0.0 111.747 -179.395 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.7 m -146.22 138.67 25.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.859 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -59.55 126.5 27.88 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 178.924 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 86.6 p -130.76 -171.73 2.64 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.075 0.464 . . . . 0.0 111.526 -179.161 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 46.4 mttp -77.69 -46.82 20.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.964 178.991 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.9 -34.45 54.94 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.118 179.279 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.915 HG23 HG21 ' A' ' 119' ' ' ILE . 19.2 mt -71.59 -45.32 68.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 178.955 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -55.64 -47.73 76.14 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 178.093 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 15.4 mmtm -60.35 -47.29 86.7 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 114.316 -1.311 . . . . 0.0 110.073 178.398 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 13.9 t -54.29 -39.66 67.16 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.487 179.738 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 74.9 mt -76.21 -35.98 29.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.098 179.202 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 26.0 t -54.41 -44.22 72.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.212 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 35.9 tp60 -71.17 -6.76 41.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.074 179.655 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.2 mmmm -106.76 -56.57 2.18 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 121.031 0.443 . . . . 0.0 110.49 179.223 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 75.53 71.52 0.09 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.576 -178.9 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 18.1 m -118.37 174.28 4.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.523 -179.123 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -77.75 61.14 2.37 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.155 -179.628 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 82.6 mt -138.93 106.88 3.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.231 179.269 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -132.62 144.36 50.3 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.647 -179.919 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.2 tp -68.59 134.3 49.77 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.728 -179.534 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -74.02 134.32 43.02 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 177.881 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 24.3 mtmm -86.38 -29.88 22.58 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.984 -0.286 . . . . 0.0 111.674 -178.827 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 14.5 p -71.07 -6.8 41.88 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.642 179.769 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -65.47 176.41 1.45 Allowed 'General case' 0 C--O 1.23 0.077 0 CA-C-O 121.162 0.505 . . . . 0.0 111.841 -179.541 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -127.44 -40.0 1.82 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.286 179.951 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 9.1 p80 -105.99 161.46 14.45 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.98 -0.555 . . . . 0.0 112.154 -178.237 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 73.9 mt -118.54 70.28 0.81 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.294 179.241 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -139.94 106.45 5.32 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.373 -179.703 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 25.6 pt -83.27 179.21 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.826 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 7.7 p -92.44 174.18 7.41 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.247 179.407 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -69.61 -32.43 71.15 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.105 0.479 . . . . 0.0 110.421 179.739 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -55.23 -62.2 1.82 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.68 -179.641 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 24.5 m80 -64.76 -34.87 79.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.452 -179.321 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.495 ' CD ' ' HB2' ' A' ' 83' ' ' ALA . 10.8 ttpp -57.7 -52.93 63.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.918 0.39 . . . . 0.0 110.375 179.78 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -68.74 -35.92 77.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.294 -179.439 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.443 HD23 ' O ' ' A' ' 118' ' ' LEU . 3.3 tt -65.87 -40.94 92.12 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.695 -179.172 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.915 HG21 HG23 ' A' ' 89' ' ' ILE . 73.7 mt -85.57 -40.62 14.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 -177.966 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.414 ' HB2' ' O ' ' A' ' 116' ' ' LYS . 5.3 mt-30 -62.27 -37.59 86.07 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -178.601 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.453 ' HA ' ' O ' ' A' ' 124' ' ' ASN . 69.5 m -73.92 16.82 0.2 Allowed 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 115.21 1.559 . . . . 0.0 115.21 -176.035 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 92.5 t -99.39 -23.5 4.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 118.456 0.571 . . . . 0.0 110.55 178.699 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 5.3 mtp180 -121.8 -4.07 9.18 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.149 178.151 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . 0.453 ' O ' ' HA ' ' A' ' 121' ' ' SER . 0.3 OUTLIER -143.19 122.96 13.38 Favored 'General case' 0 C--O 1.227 -0.127 0 N-CA-C 110.526 -0.175 . . . . 0.0 110.526 179.98 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 22.1 mtp-105 -139.69 133.57 30.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.187 0.517 . . . . 0.0 112.013 -179.748 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -144.36 -76.48 0.23 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.941 179.364 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.56 125.24 40.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.951 179.637 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.88 -85.34 0.64 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.852 178.856 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 8.0 mtmm -124.5 -40.63 2.21 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.01 178.912 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -174.2 118.02 0.66 Allowed Glycine 0 N--CA 1.451 -0.335 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.994 179.473 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 33.0 m . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.255 -0.879 . . . . 0.0 111.032 -179.821 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.477 0.909 0 CA-C-O 119.811 -0.138 . . . . 0.0 111.257 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.499 ' HA ' ' NE2' ' A' ' 65' ' ' GLN . 5.2 m-80 -98.81 20.61 12.79 Favored 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 120.085 -0.646 . . . . 0.0 111.616 179.268 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -128.18 141.0 51.6 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 177.791 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 61.4 65.07 3.49 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 119.643 -1.265 . . . . 0.0 110.559 -178.036 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.499 ' NE2' ' HA ' ' A' ' 62' ' ' ASN . 17.4 mm-40 -90.64 179.62 5.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.183 0.516 . . . . 0.0 112.02 -178.553 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 70.3 mt -107.64 163.2 13.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.474 179.277 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.486 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 48.5 t -61.67 145.34 52.59 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.96 179.836 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 34.0 m -106.63 29.2 7.14 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -179.334 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 84.1 mt -119.55 170.94 8.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.746 0.308 . . . . 0.0 110.27 178.428 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.466 ' HG2' ' HD2' ' A' ' 75' ' ' ARG . 12.0 mtp180 -135.8 111.54 9.38 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.218 -179.764 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 54.8 tt0 -91.89 107.73 19.42 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 178.988 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 60.49 21.17 10.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.685 -179.197 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 106.21 -14.75 43.77 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.706 -0.759 . . . . 0.0 113.294 179.503 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -88.1 137.89 31.93 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.267 0.555 . . . . 0.0 111.947 -179.363 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.498 ' O ' ' N ' ' A' ' 77' ' ' GLY . 43.6 mmm-85 -80.38 61.75 4.26 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.195 -0.911 . . . . 0.0 111.952 -178.9 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.486 ' HB3' ' HB3' ' A' ' 67' ' ' CYS . 2.8 t 34.9 -82.96 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 178.763 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 115.81 -14.97 16.89 Favored Glycine 0 C--N 1.336 0.542 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.494 -179.156 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -88.43 159.2 18.11 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.718 0.294 . . . . 0.0 110.64 179.924 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.3 153.84 42.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.977 0.418 . . . . 0.0 111.923 -179.605 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -85.92 137.26 32.86 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.043 179.001 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -104.55 -153.63 22.6 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.482 -0.866 . . . . 0.0 113.956 -178.64 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -78.93 -4.6 50.64 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -178.966 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.414 ' HB2' ' HD3' ' A' ' 116' ' ' LYS . . . -81.03 151.11 28.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.973 0.416 . . . . 0.0 111.639 -179.448 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.6 m -127.11 151.49 48.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.521 179.675 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -78.35 141.67 38.25 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 178.989 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 16.1 p -149.28 -174.87 4.78 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.036 0.446 . . . . 0.0 111.857 -178.967 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.5 mmtm -71.07 -42.4 69.46 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.27 179.555 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -54.67 -45.35 73.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.179 179.181 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.41 ' O ' HG13 ' A' ' 93' ' ' ILE . 44.7 mt -64.67 -37.61 80.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.925 179.225 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -60.62 -51.69 68.32 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-O 121.735 0.779 . . . . 0.0 109.065 178.353 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.1 mmpp? -58.39 -43.98 88.74 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 114.417 -1.265 . . . . 0.0 109.981 178.705 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 43.9 t -58.89 -39.72 82.31 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.439 179.378 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.41 HG13 ' O ' ' A' ' 89' ' ' ILE . 61.6 mt -73.13 -36.57 50.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.077 0.465 . . . . 0.0 110.153 179.197 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 36.5 t -57.44 -43.31 83.81 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.975 179.941 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 -58.64 -44.38 90.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.993 0.425 . . . . 0.0 110.07 179.566 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.471 ' HE3' HG21 ' A' ' 122' ' ' VAL . 43.6 mttp -70.19 -34.74 73.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.119 179.077 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 46.2 tptt 59.57 56.74 3.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.338 -178.764 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 31.5 m -105.53 174.55 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.592 -179.212 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -87.02 62.65 7.5 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.358 -179.699 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 77.2 mt -137.15 115.34 14.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.279 179.308 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -137.1 162.94 32.02 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.765 -179.872 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 19.5 tp -81.13 143.24 32.54 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.308 0.575 . . . . 0.0 111.492 -179.896 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -95.84 139.0 32.69 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 177.294 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -89.34 -3.24 58.55 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -178.726 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 59.5 p -76.62 -35.1 58.27 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.805 0.336 . . . . 0.0 111.24 -179.759 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -48.05 150.57 1.14 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.048 0.452 . . . . 0.0 111.875 -179.271 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -92.58 -23.3 19.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.053 179.711 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 13.0 p80 -130.17 -171.53 2.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.146 -179.288 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 85.9 mt -131.67 88.63 2.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.519 179.191 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -147.25 127.47 13.84 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.419 179.617 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 38.0 pt -105.91 170.73 2.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.86 179.914 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 23.0 p -86.93 168.56 13.27 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.511 179.61 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -69.28 -29.48 67.37 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.078 0.466 . . . . 0.0 110.364 179.592 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -55.53 -61.6 2.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.399 -179.941 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 22.8 m80 -63.88 -40.01 95.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.698 -179.418 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.414 ' HD3' ' HB2' ' A' ' 83' ' ' ALA . 18.2 ttpp -52.31 -53.71 40.84 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.038 0.447 . . . . 0.0 110.7 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -63.75 -42.95 97.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.979 -179.833 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.654 ' O ' HG23 ' A' ' 122' ' ' VAL . 3.7 tt -58.86 -42.5 89.55 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.726 -179.401 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 61.6 mt -82.81 -48.55 17.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 113.256 0.836 . . . . 0.0 113.256 -178.036 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.71 -33.87 75.75 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 -178.012 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 61.0 m -96.9 36.22 1.44 Allowed 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 115.106 1.521 . . . . 0.0 115.106 -176.252 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 118' ' ' LEU . 77.0 t -115.08 -22.8 4.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 C-N-CA 120.46 -0.496 . . . . 0.0 110.412 177.583 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 31.2 mtp180 -105.86 50.31 0.78 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.103 0.478 . . . . 0.0 109.915 178.379 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 19.6 t30 -155.96 121.65 4.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.952 179.944 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.432 ' CZ ' ' HB2' ' A' ' 125' ' ' ARG . 0.1 OUTLIER -172.17 -157.24 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.807 -178.348 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 -106.73 -24.25 12.16 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-O 120.749 0.309 . . . . 0.0 110.555 178.332 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 23.0 ttpp -85.87 165.5 16.76 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.224 0.535 . . . . 0.0 111.48 -179.447 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.23 -155.55 0.6 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.165 179.811 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 25.3 mtmt -118.42 -61.51 1.66 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.006 0.431 . . . . 0.0 110.733 178.587 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 176.27 144.04 4.98 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 121.011 -0.614 . . . . 0.0 111.977 -179.928 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 42.8 m . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.149 -0.929 . . . . 0.0 110.997 -179.991 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.2 t . . . . . 0 N--CA 1.481 1.078 0 CA-C-O 119.847 -0.121 . . . . 0.0 111.275 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 45.53 33.18 1.29 Allowed 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.231 0.539 . . . . 0.0 110.251 -178.586 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -100.87 21.99 12.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.282 178.997 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -107.6 54.36 0.57 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.004 -179.944 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -85.29 -175.19 5.6 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.919 0.39 . . . . 0.0 110.767 -179.941 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -114.53 166.12 12.04 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.596 179.462 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 49.4 t -55.75 138.05 48.53 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.34 -0.846 . . . . 0.0 111.431 -179.7 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 22.4 p -102.1 24.61 9.86 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.938 0.399 . . . . 0.0 111.144 179.846 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 32.3 mt -126.08 159.7 32.1 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 179.326 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.466 ' HG2' ' HD3' ' A' ' 75' ' ' ARG . 8.2 mtp-105 -130.44 109.47 10.74 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.163 -179.779 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -90.49 120.13 31.33 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 179.07 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 57.57 32.67 22.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.51 -179.074 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 84.24 -2.76 87.44 Favored Glycine 0 CA--C 1.52 0.345 0 C-N-CA 120.99 -0.624 . . . . 0.0 113.292 179.516 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -99.79 135.29 41.44 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 117.131 0.465 . . . . 0.0 111.207 -179.806 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.495 ' O ' ' N ' ' A' ' 77' ' ' GLY . 1.7 tpp85 -74.72 58.02 0.79 Allowed 'General case' 0 N--CA 1.462 0.13 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.71 -179.197 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 7.4 t 46.54 -79.39 0.0 OUTLIER 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 179.571 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 117.85 -28.02 7.22 Favored Glycine 0 C--N 1.331 0.301 0 C-N-CA 120.954 -0.641 . . . . 0.0 111.525 -179.068 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 27.6 ttt180 -86.4 132.48 33.94 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 179.149 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.27 164.5 0.45 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.934 0.397 . . . . 0.0 111.708 -178.833 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.4 165.18 25.07 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.507 -179.682 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -129.76 -149.82 6.84 Favored Glycine 0 C--N 1.334 0.454 0 C-N-CA 120.481 -0.866 . . . . 0.0 113.681 -179.244 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -83.56 -40.81 18.64 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -178.686 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -55.13 161.87 1.58 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.1 0.476 . . . . 0.0 111.661 -179.245 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -127.53 171.22 11.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.236 179.608 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -95.11 108.33 20.43 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 178.845 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 38.4 p -112.38 -170.14 1.61 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.688 -178.594 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.4 -45.87 24.51 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.433 179.744 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.78 -45.0 66.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.248 179.392 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.477 HG23 HG21 ' A' ' 119' ' ' ILE . 76.8 mt -62.86 -34.5 66.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 179.105 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -68.45 -52.33 33.77 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-O 121.613 0.72 . . . . 0.0 109.376 178.74 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.33 -41.77 63.27 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 114.758 -1.11 . . . . 0.0 110.083 179.135 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.419 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 36.6 m -61.6 -52.57 63.84 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 178.746 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 97.3 mt -53.33 -35.39 24.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.11 179.053 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 50.8 m -69.3 -35.87 76.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.135 -179.722 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.422 ' NE2' ' HA ' ' A' ' 95' ' ' GLN . 7.3 tp-100 -77.51 -46.12 23.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.227 179.416 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.729 ' HE2' HG21 ' A' ' 122' ' ' VAL . 3.4 mtpm? -63.15 -37.99 89.41 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 121.209 0.528 . . . . 0.0 109.643 178.723 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? 66.73 80.2 0.22 Allowed 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.674 -179.187 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 27.0 m -134.34 157.23 41.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.147 -179.089 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.3 mmmm -76.94 58.13 1.44 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.208 -179.807 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 53.8 mt -131.29 108.95 15.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.139 179.428 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -130.53 168.69 16.64 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.659 -179.833 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 36.7 tp -82.14 132.04 35.24 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.199 0.523 . . . . 0.0 110.852 179.544 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 59.6 t0 -91.52 126.15 36.51 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 179.487 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 46.3 mttp -74.85 -17.37 60.61 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -178.588 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.15 -28.22 66.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.923 0.392 . . . . 0.0 110.487 179.653 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -68.23 139.98 56.04 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.521 -179.625 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -101.89 39.68 1.43 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.588 -179.945 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 26.4 p80 -177.91 -179.21 0.74 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.638 -179.574 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 91.4 mt -129.45 92.34 3.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.341 179.301 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -153.05 126.38 8.63 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.534 179.762 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 41.6 pt -108.7 164.5 5.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.765 179.847 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 8.3 p -80.55 166.43 21.16 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.523 179.528 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -68.39 -34.12 75.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.092 0.473 . . . . 0.0 110.378 179.929 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -52.73 -54.9 27.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.314 179.921 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 14.1 m170 -69.07 -37.28 78.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.727 -179.44 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 5.9 ttpp -55.21 -51.25 67.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.046 0.45 . . . . 0.0 110.552 179.592 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -71.81 -34.1 69.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.188 -179.751 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.548 HD23 ' O ' ' A' ' 118' ' ' LEU . 6.7 tt -68.04 -31.06 70.46 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.606 -179.301 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.477 HG21 HG23 ' A' ' 89' ' ' ILE . 77.9 mt -93.57 -45.79 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 -178.019 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -67.21 -41.22 86.17 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 -178.072 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 12.8 m -78.6 16.36 0.85 Allowed 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 114.923 1.453 . . . . 0.0 114.923 -175.462 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.729 HG21 ' HE2' ' A' ' 96' ' ' LYS . 79.6 t -94.59 -25.57 4.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 C-N-CA 120.364 -0.534 . . . . 0.0 109.974 178.155 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 30.2 mtp180 -120.62 20.65 11.73 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.348 177.463 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -169.78 74.71 0.08 Allowed 'General case' 0 C--O 1.231 0.099 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.399 -179.816 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 8.8 mtm-85 -78.26 -26.14 47.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.842 0.353 . . . . 0.0 111.141 -179.616 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -147.43 -170.84 3.66 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.105 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 63.25 87.24 0.11 Allowed 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 178.544 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 3.0 ttm-85 -138.61 -35.55 0.59 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.107 177.811 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 8.1 mtmm 63.74 -98.63 0.07 Allowed 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.592 178.858 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 153.46 -61.79 0.38 Allowed Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 -178.481 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.9 m . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.29 -0.862 . . . . 0.0 110.431 179.017 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.482 1.133 0 CA-C-O 120.926 0.393 . . . . 0.0 111.631 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -129.1 90.73 3.07 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.057 178.176 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -152.05 18.2 0.67 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.01 179.363 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -105.82 36.66 4.25 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.747 -0.74 . . . . 0.0 111.893 -179.845 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -75.67 174.82 9.27 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.885 0.374 . . . . 0.0 110.989 -179.634 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 45.5 mt -107.05 149.82 27.17 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.828 -179.842 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.448 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 12.9 t -48.05 127.23 12.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.691 179.595 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 35.9 m -90.7 32.42 0.98 Allowed 'General case' 0 N--CA 1.462 0.142 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -178.9 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 82.6 mt -112.65 163.11 14.93 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 178.349 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.409 ' HG2' ' HD3' ' A' ' 75' ' ' ARG . 29.3 mtp180 -130.9 143.83 51.02 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.8 0.333 . . . . 0.0 111.033 -179.702 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -125.33 109.32 12.64 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.34 179.26 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 58.73 43.38 18.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.51 -179.524 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 74.65 0.19 58.17 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.862 -0.685 . . . . 0.0 113.036 -179.852 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -113.01 127.1 56.14 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 121.008 0.432 . . . . 0.0 111.218 -179.752 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.409 ' HD3' ' HG2' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -55.69 159.23 3.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.801 -179.28 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.448 ' HB3' ' HB3' ' A' ' 67' ' ' CYS . 25.9 t -70.89 -54.57 10.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.078 179.098 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 92.43 -32.06 5.72 Favored Glycine 0 C--N 1.33 0.247 0 C-N-CA 120.791 -0.718 . . . . 0.0 113.103 179.23 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.446 ' HD3' ' HB2' ' A' ' 112' ' ' CYS . 34.3 ttt-85 -68.33 144.26 54.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.842 0.353 . . . . 0.0 110.621 -179.812 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.407 ' O ' ' HB3' ' A' ' 112' ' ' CYS . . . -56.84 155.83 7.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.647 -179.568 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.94 152.59 40.07 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.196 179.281 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -108.61 -147.44 12.58 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.427 -0.892 . . . . 0.0 113.773 -178.881 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -105.88 7.1 32.06 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -178.892 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -97.83 178.58 5.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.097 0.475 . . . . 0.0 111.423 -179.537 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.8 p -138.22 159.59 41.64 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.653 179.891 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.52 ' CD2' HD13 ' A' ' 102' ' ' LEU . 76.7 t80 -95.33 123.63 38.95 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.343 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 88.6 p -128.05 -158.86 0.9 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.509 -178.603 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.0 -41.61 25.49 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.422 0.629 . . . . 0.0 110.614 179.361 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.1 ttm-85 -52.32 -49.72 63.68 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.51 -179.109 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.779 HG23 HG21 ' A' ' 119' ' ' ILE . 95.3 mt -63.92 -35.9 74.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.67 179.913 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.7 -44.86 92.42 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 178.821 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -62.05 -52.54 63.51 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.785 178.688 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.41 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 8.4 t -52.1 -43.42 63.91 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.024 179.533 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.465 HG23 ' CG2' ' A' ' 98' ' ' VAL . 70.6 mt -60.98 -49.29 85.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.208 179.0 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.7 t -54.97 -48.07 73.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.179 -179.491 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.442 ' HG3' ' NH1' ' A' ' 123' ' ' ARG . 0.0 OUTLIER -64.96 -37.9 89.19 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.033 0.444 . . . . 0.0 109.928 179.635 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.588 ' HZ3' HG11 ' A' ' 122' ' ' VAL . 13.9 mtpp -68.96 -28.58 66.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.012 178.668 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.59 76.53 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.822 -179.161 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.465 ' CG2' HG23 ' A' ' 93' ' ' ILE . 29.0 m -135.53 162.82 36.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.1 -179.451 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 32.4 mttp -90.28 71.27 7.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.567 -179.587 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.409 ' HA ' ' O ' ' A' ' 70' ' ' ARG . 34.3 mt -138.07 98.84 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.02 0.438 . . . . 0.0 110.311 178.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -109.11 160.99 15.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.693 -179.915 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.52 HD13 ' CD2' ' A' ' 85' ' ' PHE . 1.3 tp -78.16 133.11 37.85 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.134 0.492 . . . . 0.0 111.607 -179.786 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -67.84 133.47 49.24 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 177.527 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 9.8 mtmt -101.8 -10.11 20.2 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -178.586 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.7 t -92.82 20.92 6.04 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.699 0.285 . . . . 0.0 110.643 179.586 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -106.93 -169.28 1.52 Allowed 'General case' 0 C--O 1.231 0.106 0 CA-C-O 120.949 0.404 . . . . 0.0 111.578 -179.426 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 15.7 mtp85 -126.53 -70.41 0.73 Allowed 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.238 -179.61 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 29.1 p80 -75.14 -172.01 1.56 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.44 -179.005 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 62.2 mt -138.6 81.18 1.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.863 179.134 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -138.45 115.57 10.97 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.858 -179.548 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 32.9 pt -99.25 166.1 2.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.028 -179.701 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . 0.446 ' HB2' ' HD3' ' A' ' 78' ' ' ARG . 9.5 p -73.32 164.62 26.42 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.765 179.755 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.46 ' OD1' ' N ' ' A' ' 113' ' ' ASP . 0.4 OUTLIER -65.93 -39.52 90.6 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.279 0.561 . . . . 0.0 110.028 179.735 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -50.0 -56.35 11.04 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.171 -0.922 . . . . 0.0 111.449 -179.899 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 5.8 m170 -69.68 -29.17 66.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.679 -179.364 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.446 ' O ' ' HB2' ' A' ' 120' ' ' GLN . 13.0 ttpp -62.95 -54.55 36.64 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.462 179.78 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.53 -42.71 78.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.996 -179.6 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.728 ' O ' HG23 ' A' ' 122' ' ' VAL . 5.4 tt -58.75 -47.8 83.42 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.171 -179.0 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.779 HG21 HG23 ' A' ' 89' ' ' ILE . 79.1 mt -80.16 -39.73 19.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 113.55 0.945 . . . . 0.0 113.55 -177.8 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.446 ' HB2' ' O ' ' A' ' 116' ' ' LYS . 39.7 mt-30 -70.33 -40.83 73.92 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 -178.349 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 2.7 t -100.23 46.94 0.94 Allowed 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 115.013 1.486 . . . . 0.0 115.013 -174.856 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 118' ' ' LEU . 55.0 t -112.47 -25.5 3.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.792 -0.448 . . . . 0.0 109.792 177.007 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.442 ' NH1' ' HG3' ' A' ' 95' ' ' GLN . 7.9 mtm180 -112.93 -20.88 11.4 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.13 178.283 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . 0.457 ' ND2' ' HD2' ' A' ' 127' ' ' LYS . 61.5 t30 60.11 87.94 0.08 Allowed 'General case' 0 N--CA 1.456 -0.136 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.279 179.848 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 2.5 mtt-85 -122.41 41.49 3.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 112.003 -178.918 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.72 -46.94 0.74 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.509 178.588 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.457 ' HD2' ' ND2' ' A' ' 124' ' ' ASN . 0.2 OUTLIER 47.25 -171.56 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.472 178.942 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 9.8 tpp180 -119.12 79.28 1.38 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.205 177.872 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -82.37 -66.29 0.91 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.093 -179.032 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 177.76 122.17 0.73 Allowed Glycine 0 N--CA 1.445 -0.761 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.769 -179.878 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.282 -0.866 . . . . 0.0 110.57 -179.893 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 64.4 m . . . . . 0 N--CA 1.479 1.016 0 N-CA-C 111.609 0.226 . . . . 0.0 111.609 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 49.5 t30 52.46 25.75 3.76 Favored 'General case' 0 C--N 1.34 0.179 0 CA-C-N 118.44 0.564 . . . . 0.0 109.942 -176.812 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -146.68 1.15 0.79 Allowed 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.325 178.442 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -96.22 66.52 1.06 Allowed Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.828 -0.701 . . . . 0.0 111.685 -179.693 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.807 ' O ' HD12 ' A' ' 66' ' ' LEU . 3.0 mp0 -83.51 -174.77 5.48 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.841 0.353 . . . . 0.0 110.504 -179.906 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.807 HD12 ' O ' ' A' ' 65' ' ' GLN . 1.7 mp -139.01 138.58 37.36 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.305 0.574 . . . . 0.0 112.018 179.66 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 38.4 t -43.77 146.36 0.57 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 114.962 -1.017 . . . . 0.0 111.408 -179.821 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 17.7 p -106.84 20.52 18.91 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.384 179.887 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 94.6 mt -106.09 163.19 12.97 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 178.824 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 54.0 mtt-85 -127.9 120.16 27.11 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.249 -179.55 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 64.0 tt0 -103.49 117.59 34.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.087 178.958 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 55.46 38.15 29.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.774 -179.413 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 79.84 -6.97 57.3 Favored Glycine 0 CA--C 1.52 0.352 0 C-N-CA 120.866 -0.683 . . . . 0.0 113.217 179.671 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.401 ' O ' ' N ' ' A' ' 76' ' ' CYS . 70.5 mm-40 -93.72 127.16 39.29 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 117.088 0.444 . . . . 0.0 111.093 -179.71 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.9 tpp85 -65.61 64.89 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.8 -0.636 . . . . 0.0 112.451 -178.791 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.401 ' N ' ' O ' ' A' ' 74' ' ' GLU . 10.5 t 36.66 -92.31 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 178.61 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 121.02 -33.93 4.21 Favored Glycine 0 C--N 1.334 0.441 0 C-N-CA 120.39 -0.91 . . . . 0.0 112.539 -179.552 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 46.7 ttt180 -73.92 152.11 40.23 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 179.269 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.01 160.11 32.6 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.927 0.394 . . . . 0.0 111.648 -178.78 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.27 166.32 21.82 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.606 -179.559 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -122.71 -125.9 3.12 Favored Glycine 0 CA--C 1.52 0.368 0 C-N-CA 120.484 -0.865 . . . . 0.0 113.696 -179.099 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -117.09 -4.96 11.42 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 112.68 0.622 . . . . 0.0 112.68 -178.295 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -94.62 168.2 10.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.101 0.477 . . . . 0.0 111.774 -179.395 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -131.65 170.53 14.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.26 179.667 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -90.54 133.93 34.73 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 179.222 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 60.2 p -137.92 -163.74 1.5 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.985 0.421 . . . . 0.0 111.175 -179.196 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.6 mmtm -80.25 -49.24 11.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.758 178.617 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -51.54 -41.67 61.23 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.789 -179.337 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.42 ' O ' HG13 ' A' ' 93' ' ' ILE . 55.4 mt -65.87 -44.31 92.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.151 179.436 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 16.4 tm0? -55.54 -51.45 67.02 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.076 0.465 . . . . 0.0 109.968 179.052 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.3 tmtp? -62.81 -42.5 99.74 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.693 179.325 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.404 ' OG ' ' NZ ' ' A' ' 96' ' ' LYS . 29.1 t -57.59 -32.67 67.41 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.053 178.854 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 89' ' ' ILE . 96.7 mt -75.64 -46.53 36.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.945 179.014 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.429 ' O ' ' HG3' ' A' ' 97' ' ' LYS . 25.8 t -54.07 -46.48 71.99 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.183 -179.89 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 37.1 tp60 -63.82 -28.06 69.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.977 0.418 . . . . 0.0 110.058 179.678 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.445 ' HE3' HG21 ' A' ' 122' ' ' VAL . 35.3 mttp -80.25 -43.39 21.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.34 179.059 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.429 ' HG3' ' O ' ' A' ' 94' ' ' SER . 8.6 mttp 71.21 85.11 0.13 Allowed 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.53 -178.568 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 22.0 m -142.03 159.52 20.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.093 -179.259 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 51.7 mttm -79.95 55.12 2.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.438 -179.617 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 73.3 mt -119.12 103.36 14.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.198 -0.455 . . . . 0.0 109.893 179.354 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -118.82 163.78 16.38 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.842 -179.835 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 19.7 tp -92.01 136.53 33.09 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.077 -179.886 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 58.6 t0 -87.22 121.78 30.12 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 179.204 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 3.5 mtmm -82.27 -11.54 58.58 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -178.641 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.3 m -84.0 4.86 27.99 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.65 0.262 . . . . 0.0 110.848 178.917 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -69.27 178.38 2.39 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-O 121.354 0.597 . . . . 0.0 112.086 -179.042 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -122.0 -5.89 8.99 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.113 -0.949 . . . . 0.0 111.289 -179.788 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 20.3 p80 -154.55 -172.19 4.11 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 120.714 0.292 . . . . 0.0 110.296 -179.707 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 109' ' ' LEU . 35.5 mt -135.84 80.47 1.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.266 0.555 . . . . 0.0 109.907 178.787 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -137.8 133.25 33.79 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.545 -179.154 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 32.2 pt -115.97 141.84 31.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.081 -179.686 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 5.8 p -61.64 152.46 30.69 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.433 179.522 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -56.08 -29.93 61.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.077 0.465 . . . . 0.0 110.254 179.797 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -55.56 -61.26 2.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.36 -179.935 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 22.2 m170 -66.53 -39.75 88.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.793 -179.383 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 5.3 ttpp -55.31 -53.09 60.52 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.01 0.433 . . . . 0.0 110.534 179.803 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 34.5 t-20 -66.17 -42.94 88.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.995 -179.63 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.602 HD23 ' O ' ' A' ' 118' ' ' LEU . 5.0 tt -57.22 -37.37 72.13 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.808 -179.309 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.421 ' HA ' ' HE2' ' A' ' 96' ' ' LYS . 59.5 mt -89.52 -40.75 13.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 -177.687 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -66.23 -43.51 86.41 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 113.524 0.935 . . . . 0.0 113.524 -178.151 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 77.0 p -75.49 9.98 1.91 Allowed 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 114.592 1.33 . . . . 0.0 114.592 -175.808 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.445 HG21 ' HE3' ' A' ' 96' ' ' LYS . 85.6 t -97.37 119.88 45.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 C-N-CA 120.491 -0.484 . . . . 0.0 110.289 178.541 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 76.3 mtp85 53.29 37.89 26.39 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-O 121.119 0.485 . . . . 0.0 111.672 -179.054 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -154.31 14.34 0.44 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.677 179.033 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 11.7 mtp85 -89.48 39.06 0.93 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.826 0.346 . . . . 0.0 111.837 -178.688 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -116.9 89.41 3.11 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.605 -0.516 . . . . 0.0 109.605 179.332 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 16.7 ttmm -148.01 93.09 2.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.065 0.46 . . . . 0.0 111.695 -179.534 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -132.46 136.9 47.02 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.332 178.475 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -129.16 -82.5 0.57 Allowed 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.673 -0.411 . . . . 0.0 112.09 -178.968 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 117.11 -129.56 8.43 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.759 -0.734 . . . . 0.0 111.96 -178.433 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.182 -0.913 . . . . 0.0 111.027 179.944 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.403 ' OG ' ' N ' ' A' ' 62' ' ' ASN . 9.6 t . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 119.598 -0.239 . . . . 0.0 111.419 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.403 ' N ' ' OG ' ' A' ' 61' ' ' SER . 0.1 OUTLIER -159.5 20.41 0.18 Allowed 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 118.489 0.586 . . . . 0.0 112.103 -179.831 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -154.27 18.2 0.49 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.774 178.796 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -138.85 48.18 0.88 Allowed Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 121.014 -0.612 . . . . 0.0 111.682 -179.515 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -94.74 177.1 6.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.772 0.32 . . . . 0.0 110.498 -179.919 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 82.2 mt -116.41 173.75 6.43 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.03 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 18.5 t -74.16 144.57 44.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.524 179.606 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.404 ' O ' HD23 ' A' ' 69' ' ' LEU . 31.4 p -107.8 37.24 2.49 Favored 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -179.229 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.404 HD23 ' O ' ' A' ' 68' ' ' CYS . 46.5 mt -125.79 155.48 41.01 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 178.672 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.453 ' HG2' ' HD2' ' A' ' 75' ' ' ARG . 14.2 mtp180 -125.31 120.16 30.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.895 0.379 . . . . 0.0 111.225 -179.78 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -101.68 109.64 21.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.039 179.158 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 54.24 30.28 12.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.615 -179.232 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 95.81 -9.21 68.42 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.844 -0.694 . . . . 0.0 113.228 179.687 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -85.21 125.47 32.88 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 117.038 0.419 . . . . 0.0 111.293 -179.536 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.453 ' HD2' ' HG2' ' A' ' 70' ' ' ARG . 12.3 mmm180 -80.83 60.33 4.04 Favored 'General case' 0 CA--C 1.528 0.133 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.646 -179.33 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 7.6 t 31.89 -87.61 0.0 OUTLIER 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 179.224 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 113.75 -20.61 17.47 Favored Glycine 0 C--N 1.335 0.516 0 C-N-CA 120.51 -0.852 . . . . 0.0 112.737 -179.455 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 59.9 ttt85 -80.16 143.88 33.48 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.824 0.345 . . . . 0.0 110.537 179.849 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.65 154.07 18.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.824 -179.419 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.85 146.07 46.48 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.083 179.053 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -108.73 -126.54 5.38 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.326 -0.94 . . . . 0.0 114.005 -178.625 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -117.01 12.14 14.5 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -178.183 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.604 ' HB2' ' HD3' ' A' ' 116' ' ' LYS . . . -106.51 136.82 45.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.053 0.454 . . . . 0.0 111.698 -179.422 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 38.8 p -107.83 150.55 26.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.443 179.456 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -75.67 122.47 24.02 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 179.043 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 77.0 p -128.85 -168.72 1.96 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.065 0.46 . . . . 0.0 111.425 -179.25 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.6 mtpm? -78.22 -40.94 35.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.898 179.007 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.04 -37.37 69.15 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.337 179.566 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.654 HG23 HG21 ' A' ' 119' ' ' ILE . 16.2 mt -71.03 -35.11 57.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 178.604 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -63.11 -44.17 96.38 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.207 0.527 . . . . 0.0 109.681 179.032 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.1 tmtm? -65.58 -43.15 90.64 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.846 179.051 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.43 ' HB2' ' NH2' ' A' ' 123' ' ' ARG . 31.2 t -57.98 -43.14 86.35 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.054 178.967 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.419 HG23 HG22 ' A' ' 98' ' ' VAL . 96.7 mt -64.43 -45.82 94.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.917 179.119 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 13.7 t -55.13 -44.45 75.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.008 179.898 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -63.14 -19.87 64.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.773 179.377 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.729 ' NZ ' HG21 ' A' ' 122' ' ' VAL . 3.9 mtpm? -97.09 -35.65 10.74 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.196 0.522 . . . . 0.0 109.975 178.97 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? 59.31 75.85 0.38 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.61 -178.472 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.434 HG21 HD12 ' A' ' 100' ' ' ILE . 25.3 m -121.61 170.15 12.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.187 -179.145 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 4.4 mmtm -85.89 45.75 1.24 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.433 -179.742 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.434 HD12 HG21 ' A' ' 98' ' ' VAL . 72.3 mt -117.13 108.73 25.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.842 0.353 . . . . 0.0 110.11 179.465 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -123.17 162.2 22.99 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.096 -179.13 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 19.7 tp -82.65 141.86 32.16 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.187 179.942 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -89.33 134.53 34.02 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 178.213 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.2 mmpp? -84.98 -24.02 28.45 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 111.817 0.303 . . . . 0.0 111.817 -178.621 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 52.2 p -66.36 -21.71 66.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.738 0.304 . . . . 0.0 111.192 -179.857 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -65.79 149.29 50.4 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.099 0.476 . . . . 0.0 111.748 -179.463 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -106.55 -38.74 6.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.712 -179.707 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 16.2 p80 -91.18 168.58 11.51 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.522 -179.303 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 53.3 mt -125.89 73.96 1.39 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.155 179.443 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -143.89 134.15 24.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.363 179.835 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 32.6 pt -116.83 164.66 12.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.927 179.966 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 13.8 p -74.71 170.43 15.85 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.543 179.681 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.421 ' OD1' ' HE3' ' A' ' 116' ' ' LYS . 1.4 t70 -71.93 -35.21 69.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.175 0.512 . . . . 0.0 110.2 179.81 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -48.97 -61.1 2.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.476 -179.896 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 17.1 m80 -65.17 -35.07 79.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.813 -179.339 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.604 ' HD3' ' HB2' ' A' ' 83' ' ' ALA . 11.1 ttpp -56.65 -46.58 80.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.928 0.394 . . . . 0.0 110.602 179.849 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -74.15 -38.39 63.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.121 -179.688 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.612 HD23 ' O ' ' A' ' 118' ' ' LEU . 2.0 tt -64.2 -36.14 83.1 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.514 -179.51 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.654 HG21 HG23 ' A' ' 89' ' ' ILE . 72.7 mt -89.42 -44.01 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 -177.938 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -65.86 -38.85 89.92 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 -178.376 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 19.2 m -95.24 53.72 1.56 Allowed 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 115.015 1.487 . . . . 0.0 115.015 -175.896 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.729 HG21 ' NZ ' ' A' ' 96' ' ' LYS . 72.3 t -126.75 -35.0 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 120.828 0.347 . . . . 0.0 110.356 177.618 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.43 ' NH2' ' HB2' ' A' ' 92' ' ' SER . 18.3 mtm180 -107.69 40.93 1.61 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.123 0.487 . . . . 0.0 110.342 178.293 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -165.9 114.67 0.97 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.542 -0.753 . . . . 0.0 109.572 179.805 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 9.8 mtp180 -142.96 -179.23 6.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.433 0.635 . . . . 0.0 112.375 -178.685 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.71 164.74 27.2 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.043 -0.981 . . . . 0.0 110.342 179.483 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 1.5 mtpm? 59.14 168.84 0.06 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.107 0.48 . . . . 0.0 112.11 179.16 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 40.9 mtt85 58.73 174.95 0.07 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.311 179.476 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.81 -72.93 0.67 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.531 -179.871 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 143.56 122.15 1.64 Allowed Glycine 0 N--CA 1.449 -0.453 0 CA-C-N 115.745 -0.662 . . . . 0.0 112.009 -179.553 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 51.4 p . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.463 -0.779 . . . . 0.0 110.783 -179.709 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 64.3 m . . . . . 0 N--CA 1.483 1.206 0 N-CA-C 111.612 0.227 . . . . 0.0 111.612 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -125.65 29.22 6.02 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 120.569 -0.452 . . . . 0.0 112.09 -179.083 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -159.98 23.58 0.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.669 178.53 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -119.56 36.97 3.29 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.936 -0.649 . . . . 0.0 112.124 -179.603 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -118.92 -179.45 3.82 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.712 0.291 . . . . 0.0 110.292 179.95 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.95 148.82 34.21 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.141 0.496 . . . . 0.0 111.449 179.471 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 46.3 t -45.89 139.28 4.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.346 -179.735 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 32.0 p -102.87 27.18 7.27 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.96 0.409 . . . . 0.0 111.177 -179.976 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 57.7 mt -117.96 154.86 31.24 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 179.011 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.403 ' HA ' ' O ' ' A' ' 74' ' ' GLU . 22.3 mtp180 -122.99 116.31 23.34 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.25 -179.163 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 65.7 tt0 -97.37 110.38 22.95 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 178.893 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 66.23 29.66 9.54 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.59 -178.911 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 93.7 -17.48 58.51 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.89 -0.671 . . . . 0.0 113.075 179.474 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.403 ' O ' ' HA ' ' A' ' 70' ' ' ARG . 5.5 mm-40 -90.16 136.23 33.18 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.912 0.387 . . . . 0.0 111.489 -179.541 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 77' ' ' GLY . 14.8 tpp85 -73.24 63.38 0.72 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.769 -0.65 . . . . 0.0 112.67 -178.406 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 10.4 t 43.79 -85.72 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 178.406 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 114.41 -2.14 23.62 Favored Glycine 0 C--N 1.334 0.42 0 C-N-CA 120.48 -0.866 . . . . 0.0 112.939 -179.485 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 65.0 ttt180 -104.86 142.49 34.65 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 179.358 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.25 141.3 58.82 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.063 0.458 . . . . 0.0 111.839 -178.788 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -54.43 157.29 2.89 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.267 -179.823 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -112.81 -128.33 4.92 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.595 -0.812 . . . . 0.0 113.786 -179.065 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -117.16 10.09 13.74 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -178.371 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.442 ' HB2' ' CD ' ' A' ' 116' ' ' LYS . . . -105.6 168.06 9.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.147 0.499 . . . . 0.0 111.694 -179.405 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 59.8 p -135.12 137.99 43.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.67 179.693 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -61.7 129.49 41.31 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 179.092 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 56.4 p -134.41 -163.77 1.42 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.09 0.471 . . . . 0.0 111.478 -179.079 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.475 ' NZ ' ' HB2' ' A' ' 87' ' ' LYS . 1.0 OUTLIER -78.08 -47.9 17.26 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.499 179.402 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.6 tmm_? -51.89 -46.24 64.46 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.288 179.928 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.427 HG23 HG21 ' A' ' 119' ' ' ILE . 33.0 mt -62.8 -31.85 53.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 178.956 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -68.76 -45.65 70.87 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 178.381 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.6 mmtm -60.84 -40.12 91.65 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 114.818 -1.083 . . . . 0.0 109.856 178.73 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.6 t -65.84 -49.29 68.72 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.272 179.234 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 89' ' ' ILE . 64.2 mt -64.24 -32.12 56.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.184 179.213 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 38.5 m -67.49 -49.48 63.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.066 -179.966 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -67.56 -34.35 76.89 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 179.49 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.84 ' HE2' HG21 ' A' ' 122' ' ' VAL . 4.8 mtpm? -65.3 -41.41 94.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.287 0.565 . . . . 0.0 109.84 178.551 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 16.5 tttp 62.99 67.7 0.67 Allowed 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.346 -178.611 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 11.4 m -121.06 178.75 2.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.134 -0.939 . . . . 0.0 111.232 -179.243 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 6.5 mttp -95.42 45.67 1.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.581 -179.542 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 69.2 mt -122.28 94.73 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.258 179.059 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -113.82 164.48 13.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.073 0.463 . . . . 0.0 110.948 -179.867 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 12.1 tp -84.65 140.25 31.46 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.201 179.857 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 32.6 t0 -89.73 140.34 29.67 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 177.794 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 22.2 mtmm -98.34 -8.05 27.77 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 -178.472 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 9.1 p -81.85 -4.21 55.93 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 121.047 -0.261 . . . . 0.0 110.937 179.107 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -70.96 163.82 26.72 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-O 121.264 0.554 . . . . 0.0 112.012 -179.246 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.59 14.36 16.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.641 179.836 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . 0.405 ' O ' HD23 ' A' ' 109' ' ' LEU . 11.4 p80 -165.16 172.28 12.72 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 120.942 0.401 . . . . 0.0 110.726 -178.973 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.405 HD23 ' O ' ' A' ' 108' ' ' HIS . 49.8 mt -128.75 87.1 2.53 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.167 178.863 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -147.01 111.72 5.31 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.34 179.927 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 35.4 pt -89.32 173.15 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.964 -179.971 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 9.4 p -88.66 167.6 13.22 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.539 179.621 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -65.6 -35.83 81.95 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.109 0.481 . . . . 0.0 110.32 179.652 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -53.7 -58.88 5.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.325 179.896 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -66.97 -33.7 76.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.734 -179.381 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.442 ' CD ' ' HB2' ' A' ' 83' ' ' ALA . 15.9 ttpp -57.04 -53.09 62.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.95 0.405 . . . . 0.0 110.477 179.707 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -69.57 -42.58 74.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.307 -179.496 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.582 HD23 ' O ' ' A' ' 118' ' ' LEU . 5.9 tt -56.69 -40.06 74.92 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.598 -179.386 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.427 HG21 HG23 ' A' ' 89' ' ' ILE . 53.6 mt -87.34 -41.35 14.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 -177.789 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -65.75 -40.57 92.23 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 -178.44 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 15.7 p -83.37 13.97 3.98 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 -175.775 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.84 HG21 ' HE2' ' A' ' 96' ' ' LYS . 97.1 t -95.76 -18.36 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 C-N-CA 120.269 -0.573 . . . . 0.0 110.56 178.522 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 10.8 mtp180 -113.2 -4.41 13.76 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.499 177.833 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -141.63 112.71 7.39 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 179.434 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.422 ' NH1' ' OXT' ' A' ' 131' ' ' SER . 2.4 ttm180 -64.22 -72.79 0.13 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.451 -178.876 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.459 ' HD2' ' OXT' ' A' ' 131' ' ' SER . 15.5 mtt85 -119.64 162.03 19.66 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.618 0.247 . . . . 0.0 110.602 -179.995 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.92 -67.34 0.77 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.151 0.5 . . . . 0.0 109.936 179.564 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 -156.58 110.95 2.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.747 178.679 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 4.5 tptm -172.32 -48.78 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.962 0.41 . . . . 0.0 110.569 -179.588 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 156.68 -117.81 0.8 Allowed Glycine 0 N--CA 1.45 -0.412 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.974 -179.786 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . 0.459 ' OXT' ' HD2' ' A' ' 126' ' ' ARG . 5.5 t . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.304 -0.855 . . . . 0.0 110.699 179.503 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 47.4 m . . . . . 0 N--CA 1.485 1.295 0 CA-C-O 120.873 0.368 . . . . 0.0 111.509 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -155.13 56.86 0.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.37 0.605 . . . . 0.0 110.859 178.719 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -131.61 54.88 1.89 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.18 -0.918 . . . . 0.0 109.157 178.63 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 152.6 82.2 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.435 0 CA-C-N 115.186 -0.916 . . . . 0.0 110.994 -178.98 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -63.55 169.4 3.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.12 0.486 . . . . 0.0 111.984 -178.681 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 24.2 mt -115.96 148.21 40.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.79 -179.89 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 41.4 t -47.82 144.02 3.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 179.732 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 20.4 p -104.07 32.31 4.04 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.823 0.344 . . . . 0.0 111.552 -179.487 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 61.3 mt -119.54 158.73 25.73 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 178.855 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.424 ' HA ' ' O ' ' A' ' 74' ' ' GLU . 36.7 mtp180 -125.56 129.52 49.86 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.745 0.307 . . . . 0.0 111.278 -179.5 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -103.37 100.3 10.17 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 178.838 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 65.37 22.99 12.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.669 -179.0 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 110.1 -20.83 25.69 Favored Glycine 0 C--N 1.333 0.363 0 C-N-CA 120.748 -0.739 . . . . 0.0 113.046 179.64 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.424 ' O ' ' HA ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -82.11 127.75 33.44 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.658 0.266 . . . . 0.0 111.007 -179.361 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.47 ' O ' ' N ' ' A' ' 77' ' ' GLY . 39.4 mmm-85 -73.93 60.14 0.73 Allowed 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -178.875 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.0 t 47.12 -78.38 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 113.419 0.896 . . . . 0.0 113.419 179.004 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 101.24 -2.11 54.4 Favored Glycine 0 CA--C 1.521 0.438 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.674 -178.961 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.432 ' HG2' ' N ' ' A' ' 79' ' ' ALA . 22.4 ttt85 -104.94 147.15 28.08 Favored 'General case' 0 CA--C 1.529 0.138 0 CA-C-O 120.684 0.278 . . . . 0.0 110.677 179.788 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.432 ' N ' ' HG2' ' A' ' 78' ' ' ARG . . . -57.91 163.95 2.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.704 -179.603 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -85.84 151.31 23.9 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.248 179.192 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -109.51 -135.46 7.25 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.447 -0.883 . . . . 0.0 114.024 -178.718 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -106.71 -3.43 20.55 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 112.208 0.448 . . . . 0.0 112.208 -178.514 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.442 ' HB2' ' CD ' ' A' ' 116' ' ' LYS . . . -87.38 166.96 14.45 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.018 0.437 . . . . 0.0 111.749 -179.301 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.3 p -132.91 155.22 49.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.362 179.457 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -84.88 146.74 27.13 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.277 -0.419 . . . . 0.0 109.883 179.083 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 86.5 p -154.89 -165.81 2.14 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.973 0.415 . . . . 0.0 111.173 -179.262 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 10.6 mtmm -79.13 -45.01 20.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.079 178.971 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.6 tmm_? -52.23 -39.13 59.87 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.57 -179.999 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.779 HG23 HG21 ' A' ' 119' ' ' ILE . 35.9 mt -70.29 -35.15 61.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.26 179.524 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -65.32 -40.66 94.0 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 178.879 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.57 -48.11 65.09 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.371 -0.832 . . . . 0.0 110.051 179.373 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 48.0 t -53.44 -46.09 69.71 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 178.956 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.456 HG23 HG22 ' A' ' 98' ' ' VAL . 97.3 mt -60.54 -52.72 58.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.187 179.111 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.4 m -51.08 -37.97 48.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.256 -179.829 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -74.39 -36.74 63.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.905 0.383 . . . . 0.0 109.968 179.724 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.689 ' HE2' HG21 ' A' ' 122' ' ' VAL . 7.3 mtpm? -69.9 -31.72 69.67 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 178.34 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 6.7 mmtp 61.62 71.05 0.56 Allowed 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 115.496 -0.774 . . . . 0.0 109.471 -178.751 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.456 HG22 HG23 ' A' ' 93' ' ' ILE . 25.8 m -130.21 162.55 37.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.321 -179.108 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.84 64.43 7.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.42 -179.633 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.9 mt -138.15 108.46 4.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.997 0.427 . . . . 0.0 110.621 179.179 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -136.08 152.05 50.46 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.471 -179.941 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.47 130.68 35.64 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.128 0.489 . . . . 0.0 112.004 -179.263 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 51.0 t0 -79.4 134.98 36.57 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 177.74 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 16.1 mtmt -86.93 -0.02 55.84 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -179.186 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 24.1 p -84.07 -14.55 50.18 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.666 0.27 . . . . 0.0 110.811 179.188 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -77.36 -169.94 1.58 Allowed 'General case' 0 C--O 1.231 0.107 0 CA-C-O 120.951 0.405 . . . . 0.0 111.66 -179.591 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.25 -71.08 0.5 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.151 -179.553 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 27.8 p80 -59.57 162.12 5.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.658 -179.332 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 49.2 mt -125.06 67.39 1.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.301 179.475 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -137.9 107.15 6.07 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.39 179.96 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 27.2 pt -78.62 -180.0 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.924 179.834 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . 0.429 ' HB2' ' HD3' ' A' ' 78' ' ' ARG . 12.5 p -96.62 160.07 14.59 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.686 179.924 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.401 ' HB2' ' NH2' ' A' ' 78' ' ' ARG . 2.0 m-20 -56.58 -37.31 70.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.949 0.404 . . . . 0.0 110.512 179.552 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -53.14 -62.03 1.92 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.384 -179.593 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 25.1 m170 -65.8 -28.31 68.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.498 -179.363 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.442 ' CD ' ' HB2' ' A' ' 83' ' ' ALA . 10.0 ttpp -63.51 -54.07 42.11 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.015 0.436 . . . . 0.0 110.527 179.815 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.418 ' ND2' ' OG ' ' A' ' 121' ' ' SER . 3.1 t-20 -63.95 -45.97 86.79 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.743 179.942 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.807 ' O ' HG23 ' A' ' 122' ' ' VAL . 4.1 tt -56.05 -54.43 45.0 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.973 -179.026 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.779 HG21 HG23 ' A' ' 89' ' ' ILE . 64.5 mt -71.72 -42.37 70.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 -177.939 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -73.88 -36.91 64.84 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 -178.416 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.418 ' OG ' ' ND2' ' A' ' 117' ' ' ASN . 50.1 m -87.09 20.9 2.51 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 115.01 1.485 . . . . 0.0 115.01 -175.81 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.807 HG23 ' O ' ' A' ' 118' ' ' LEU . 91.8 t -98.49 -17.18 6.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.471 178.133 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -117.01 -4.62 11.48 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.294 178.532 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -164.62 98.13 0.78 Allowed 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.113 -179.916 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -80.57 -81.86 0.12 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.861 0.362 . . . . 0.0 111.441 -179.469 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 56.8 mtt-85 -144.85 35.21 1.13 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.862 -179.901 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.48 100.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.545 -0.752 . . . . 0.0 112.202 179.036 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.416 ' HD2' ' OXT' ' A' ' 131' ' ' SER . 0.0 OUTLIER 45.65 -158.49 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.603 178.687 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.88 -42.33 3.42 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 121.008 0.432 . . . . 0.0 110.348 179.342 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -152.93 52.92 0.47 Allowed Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.516 -179.778 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . 0.416 ' OXT' ' HD2' ' A' ' 128' ' ' ARG . 27.3 m . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.149 -0.929 . . . . 0.0 111.191 179.672 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 46.4 t . . . . . 0 N--CA 1.484 1.274 0 CA-C-O 121.187 0.517 . . . . 0.0 111.8 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -143.06 99.28 3.42 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.307 178.877 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -133.3 59.78 1.72 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.986 179.371 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 175.57 61.32 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 CA-C-N 115.47 -0.787 . . . . 0.0 111.475 -179.68 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -73.37 179.64 3.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.148 0.499 . . . . 0.0 111.537 -179.236 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 65.0 mt -125.04 160.7 28.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.729 179.759 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.44 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 21.7 t -46.02 149.52 0.67 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.099 179.694 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 17.7 p -106.16 6.51 30.98 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 111.723 0.268 . . . . 0.0 111.723 179.82 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 85.4 mt -101.73 160.51 14.41 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 178.715 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.406 ' HD2' ' HB2' ' A' ' 103' ' ' ASP . 52.6 mtp180 -124.93 118.19 25.74 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.781 0.324 . . . . 0.0 111.211 -179.687 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -98.88 117.5 33.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.05 179.032 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 57.87 37.72 26.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.529 -179.13 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 80.36 -7.97 55.09 Favored Glycine 0 N--CA 1.451 -0.329 0 CA-C-N 115.872 -0.604 . . . . 0.0 113.197 179.691 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -99.24 132.99 44.17 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 117.248 0.524 . . . . 0.0 111.017 179.912 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.423 ' O ' ' N ' ' A' ' 77' ' ' GLY . 4.3 mmm180 -69.06 67.25 0.16 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.422 -0.808 . . . . 0.0 112.819 -178.174 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.44 ' HB3' ' HB3' ' A' ' 67' ' ' CYS . 12.3 t 37.43 -89.08 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 112.797 0.666 . . . . 0.0 112.797 178.1 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 124.05 -27.41 5.63 Favored Glycine 0 C--N 1.336 0.533 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.655 -179.52 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.465 ' HD3' ' HB2' ' A' ' 112' ' ' CYS . 44.9 ttt85 -77.73 148.53 34.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.656 0.265 . . . . 0.0 110.578 179.79 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.7 150.84 35.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.64 -179.621 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.91 157.1 37.3 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.079 179.252 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -109.66 -120.29 4.24 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.333 -0.937 . . . . 0.0 113.852 -178.838 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -124.49 -25.59 4.02 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -178.413 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -75.03 167.95 20.92 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.138 0.494 . . . . 0.0 111.951 -179.187 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.3 m -125.17 169.6 12.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.238 179.636 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -94.68 122.21 37.05 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.016 179.25 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 95.6 p -126.36 -162.42 1.14 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.733 -179.258 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.84 -44.52 18.31 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 178.752 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -51.49 -39.76 58.18 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.884 -179.091 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.6 HG23 HG21 ' A' ' 119' ' ' ILE . 54.1 mt -68.62 -35.35 69.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.001 0.429 . . . . 0.0 109.901 179.206 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -63.31 -48.29 78.68 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-O 121.777 0.799 . . . . 0.0 109.114 178.283 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.3 mmtp -61.32 -45.41 94.54 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 114.3 -1.318 . . . . 0.0 110.54 179.332 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 33.6 t -59.96 -41.15 91.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.044 179.078 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.519 HG23 HG22 ' A' ' 98' ' ' VAL . 87.2 mt -64.85 -45.53 94.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.912 178.917 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 20.0 t -52.5 -52.15 55.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.004 -179.937 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -59.2 -29.38 67.45 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.056 0.455 . . . . 0.0 110.016 179.723 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp -79.27 -38.56 35.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.946 178.813 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.48 77.48 0.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.276 -0.874 . . . . 0.0 109.628 -178.616 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.519 HG22 HG23 ' A' ' 93' ' ' ILE . 27.9 m -130.69 -178.78 2.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.558 -0.747 . . . . 0.0 111.264 -179.237 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -101.83 61.4 0.89 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.374 -179.51 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 67.8 mt -134.06 105.59 7.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.052 179.072 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -132.73 164.57 26.49 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.978 -179.797 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 13.3 tp -86.56 143.28 27.76 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.73 -179.459 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.406 ' HB2' ' HD2' ' A' ' 70' ' ' ARG . 23.5 t0 -95.38 150.63 20.06 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 177.87 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.88 2.27 56.63 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.114 0.412 . . . . 0.0 112.114 -179.263 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 6.7 m -82.16 -37.36 26.28 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.968 0.413 . . . . 0.0 110.726 179.684 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.95 131.74 43.37 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.622 -179.414 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.19 -37.78 15.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.37 179.941 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 19.2 p80 -80.06 157.3 26.75 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.98 0.419 . . . . 0.0 111.388 -179.457 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 83.8 mt -121.97 83.07 2.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.087 178.96 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -147.99 117.89 7.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.298 -179.831 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 30.8 pt -96.02 162.53 2.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.841 179.873 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . 0.465 ' HB2' ' HD3' ' A' ' 78' ' ' ARG . 8.2 p -75.02 171.3 14.34 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.595 179.689 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -72.93 -28.79 62.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.01 0.433 . . . . 0.0 110.68 179.882 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -59.52 -61.72 2.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.452 -179.627 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 22.4 m170 -64.01 -36.32 83.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.662 -179.311 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.66 -53.79 54.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.982 0.42 . . . . 0.0 110.817 179.948 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -65.64 -37.99 88.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.267 -179.428 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.46 HD23 ' O ' ' A' ' 118' ' ' LEU . 4.5 tt -62.44 -50.01 73.16 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.598 -179.5 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.6 HG21 HG23 ' A' ' 89' ' ' ILE . 75.7 mt -74.19 -45.47 47.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -178.079 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.415 ' O ' ' HB3' ' A' ' 124' ' ' ASN . 1.0 OUTLIER -63.86 -40.14 95.86 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 -178.252 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.8 t -76.75 9.29 2.92 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 114.379 1.252 . . . . 0.0 114.379 -175.961 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 72.7 t -97.38 -26.24 4.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 C-N-CA 120.404 -0.519 . . . . 0.0 110.369 178.751 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 9.9 mtm180 -136.62 41.17 2.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.21 0.528 . . . . 0.0 110.169 178.912 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . 0.415 ' HB3' ' O ' ' A' ' 120' ' ' GLN . 5.7 t-20 -169.99 86.22 0.13 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.401 179.803 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.1 mtm180 -108.25 154.88 21.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.349 0.595 . . . . 0.0 112.215 -178.393 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.0 ttt-85 -108.74 -36.26 6.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.618 179.258 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.427 ' HG2' ' CD ' ' A' ' 128' ' ' ARG . 11.8 ttmm 62.77 159.88 0.08 Allowed 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.489 -0.778 . . . . 0.0 112.466 178.676 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.427 ' CD ' ' HG2' ' A' ' 127' ' ' LYS . 0.9 OUTLIER 58.69 -175.92 0.09 Allowed 'General case' 0 C--N 1.334 -0.075 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.155 179.27 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -156.84 -92.43 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 116.55 -0.296 . . . . 0.0 111.53 179.641 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 169.76 -174.24 43.99 Favored Glycine 0 N--CA 1.447 -0.573 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 -178.462 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 11.9 t . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.434 -179.568 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.7 t . . . . . 0 N--CA 1.482 1.16 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -118.43 100.19 7.31 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -179.766 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -154.29 8.98 0.35 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.851 177.732 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -140.88 59.73 0.56 Allowed Glycine 0 C--N 1.335 0.524 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 -179.608 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -96.61 170.43 9.21 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.072 0.463 . . . . 0.0 111.154 -179.164 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 82.2 mt -139.41 148.97 43.52 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.36 179.349 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.4 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 44.5 t -49.75 150.94 1.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.829 179.85 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 71.8 m -117.13 27.24 9.24 Favored 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -178.915 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 75.7 mt -114.12 163.35 15.31 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 178.695 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.417 ' HA ' ' O ' ' A' ' 74' ' ' GLU . 37.2 mtp180 -124.68 123.2 39.51 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.405 -179.577 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.404 ' O ' ' HB2' ' A' ' 72' ' ' ASP . 30.3 tt0 -104.33 92.66 4.43 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 178.651 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.404 ' HB2' ' O ' ' A' ' 71' ' ' GLU . 8.6 m-20 66.88 43.39 2.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.757 -178.89 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 90.35 -19.61 42.49 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.928 -0.653 . . . . 0.0 113.099 179.352 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.417 ' O ' ' HA ' ' A' ' 70' ' ' ARG . 1.9 mm-40 -83.84 129.34 34.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.812 0.306 . . . . 0.0 111.368 -179.476 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 77' ' ' GLY . 1.8 tmm_? -81.93 59.64 4.41 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.45 -179.182 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.4 ' HB3' ' HB3' ' A' ' 67' ' ' CYS . 11.8 t 40.03 -84.23 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 113.221 0.823 . . . . 0.0 113.221 179.004 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 110.23 -23.96 19.51 Favored Glycine 0 C--N 1.333 0.4 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.168 -179.292 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 28.7 ttt85 -76.58 146.65 38.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.674 0.273 . . . . 0.0 110.341 179.726 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.84 157.48 21.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.652 -179.545 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.2 151.93 39.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.08 179.139 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -109.96 -135.58 7.16 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.358 -0.925 . . . . 0.0 113.885 -178.84 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -104.28 -10.27 17.97 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -178.812 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -83.43 170.21 14.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.072 0.463 . . . . 0.0 111.641 -179.462 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.0 p -139.15 140.08 37.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.6 179.605 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -63.61 125.3 23.82 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 179.088 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 93.1 p -129.64 -167.45 1.8 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.958 0.409 . . . . 0.0 111.316 -178.958 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -78.85 -41.19 30.61 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.587 179.609 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.58 -43.64 72.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.45 179.344 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 34.8 mt -65.75 -38.81 83.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.084 179.422 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.68 -51.83 65.66 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-O 121.636 0.731 . . . . 0.0 109.271 178.667 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -55.56 -40.35 71.82 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 114.667 -1.151 . . . . 0.0 109.928 178.941 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 14.9 t -61.17 -51.93 66.96 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.952 178.793 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.404 ' HA ' ' HD3' ' A' ' 96' ' ' LYS . 89.4 mt -53.0 -53.43 21.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.342 179.204 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 52.2 m -52.89 -40.36 63.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.055 -179.765 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -75.65 -18.34 59.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.884 0.374 . . . . 0.0 110.546 179.168 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.404 ' HD3' ' HA ' ' A' ' 93' ' ' ILE . 20.1 mtpp -84.92 -40.18 17.31 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-O 121.235 0.541 . . . . 0.0 110.099 178.711 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 7.2 tptt 71.66 72.46 0.17 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.417 -0.81 . . . . 0.0 109.336 -178.602 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 15.7 m -135.44 172.78 15.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.392 -179.1 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -93.46 63.69 3.54 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.388 -179.727 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 72.8 mt -129.33 117.97 44.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.525 179.372 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -133.78 159.84 39.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.452 179.595 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -77.8 123.84 27.22 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.063 0.459 . . . . 0.0 111.754 -179.526 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -77.04 111.57 12.75 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 178.134 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.29 -4.64 48.92 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.303 0.482 . . . . 0.0 112.303 -178.626 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 60.8 p -81.75 -3.68 54.41 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 121.164 -0.214 . . . . 0.0 111.552 179.88 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -72.92 -159.88 0.07 Allowed 'General case' 0 C--O 1.232 0.134 0 CA-C-O 120.918 0.39 . . . . 0.0 111.193 -179.798 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 15.0 mtp180 -138.78 4.44 2.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.362 178.973 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -163.02 -179.51 6.78 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 121.067 0.461 . . . . 0.0 111.434 -178.741 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 33.5 mt -118.54 81.9 1.76 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.802 178.312 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -141.96 120.52 12.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.573 179.852 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 43.4 pt -100.83 168.89 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.95 179.842 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 23.6 p -86.62 174.6 8.79 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.493 179.531 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -73.9 -28.71 61.68 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.468 179.605 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -58.96 -61.99 2.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.634 -179.408 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 22.2 m80 -66.23 -26.15 67.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.69 -179.314 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.85 -54.11 25.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.046 0.45 . . . . 0.0 110.658 179.801 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 32.9 t30 -69.86 -28.71 65.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.066 -179.748 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.566 HD23 ' O ' ' A' ' 118' ' ' LEU . 4.3 tt -72.9 -48.75 34.5 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.777 -179.089 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 67.8 mt -79.1 -41.97 23.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 113.275 0.843 . . . . 0.0 113.275 -177.952 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -62.65 -36.39 82.68 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 -178.238 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.91 33.28 0.86 Allowed 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 114.841 1.422 . . . . 0.0 114.841 -175.653 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 72.2 t -104.09 -32.06 2.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.115 0.483 . . . . 0.0 109.724 177.861 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 29.6 mtm180 -129.74 78.62 1.86 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.9 178.018 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -124.84 110.95 14.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.625 -179.303 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 42.7 mtm180 -114.38 -47.44 2.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.055 0.455 . . . . 0.0 111.283 -179.533 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 26.1 ttt180 -161.81 -41.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.419 -179.724 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 4.8 ttpp 39.45 66.5 0.56 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.068 -0.969 . . . . 0.0 113.073 178.207 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 2.0 ttt85 -131.02 -1.92 4.07 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.462 176.779 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? 58.59 -155.13 0.35 Allowed 'General case' 0 CA--C 1.531 0.216 0 CA-C-O 120.532 0.206 . . . . 0.0 110.447 -179.9 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -173.23 51.16 0.16 Allowed Glycine 0 N--CA 1.446 -0.647 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 179.813 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.323 -0.846 . . . . 0.0 110.783 -179.381 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.485 1.301 0 CA-C-O 121.114 0.483 . . . . 0.0 111.613 . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 20.5 m-20 -125.04 89.43 3.06 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.767 -0.652 . . . . 0.0 111.836 -179.332 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -166.23 24.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.694 178.286 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -176.29 85.01 0.07 OUTLIER Glycine 0 N--CA 1.449 -0.467 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 -179.078 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -94.42 159.6 15.03 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.108 0.48 . . . . 0.0 112.093 -178.683 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 51.2 mt -116.52 152.13 34.73 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.201 179.069 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.432 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 41.4 t -47.23 154.75 0.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.13 -179.919 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.552 ' SG ' ' HB1' ' A' ' 106' ' ' ALA . 61.7 m -122.2 35.0 4.99 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 112.762 0.653 . . . . 0.0 112.762 -178.486 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 93.1 mt -121.62 165.76 15.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.862 0.363 . . . . 0.0 110.621 178.311 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.473 ' HG2' ' HD2' ' A' ' 75' ' ' ARG . 34.5 mtp180 -130.84 115.84 17.13 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.087 -179.953 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -101.19 108.08 19.65 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 178.99 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 55.32 27.07 9.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.747 -179.139 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 102.53 -4.99 51.19 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.806 -0.711 . . . . 0.0 113.4 179.314 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -92.79 123.46 36.08 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 117.219 0.509 . . . . 0.0 111.773 -179.555 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.473 ' HD2' ' HG2' ' A' ' 70' ' ' ARG . 5.8 mmm-85 -80.31 58.57 3.13 Favored 'General case' 0 C--O 1.227 -0.087 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.747 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.432 ' HB3' ' HB3' ' A' ' 67' ' ' CYS . 10.2 t 31.5 -85.87 0.0 OUTLIER 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 179.638 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 109.16 -21.16 27.4 Favored Glycine 0 C--N 1.336 0.544 0 C-N-CA 120.531 -0.842 . . . . 0.0 112.534 -179.613 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 35.3 ttt85 -71.92 147.66 46.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.842 0.353 . . . . 0.0 110.56 179.779 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.73 147.8 36.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.759 -179.426 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.98 150.42 45.68 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.119 179.05 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -109.96 -131.97 6.24 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.371 -0.918 . . . . 0.0 114.002 -178.632 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -115.97 18.09 15.67 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.605 -0.298 . . . . 0.0 111.773 -178.405 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -111.87 164.34 13.2 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.068 0.461 . . . . 0.0 111.775 -179.417 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 17.5 p -129.34 157.58 41.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.46 179.467 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -84.47 111.48 19.52 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.695 179.192 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 53.6 p -113.69 -171.52 1.91 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.055 0.455 . . . . 0.0 111.614 -178.641 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.43 -42.36 36.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.12 178.974 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.59 -41.23 61.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.122 179.545 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.636 HG23 HG21 ' A' ' 119' ' ' ILE . 76.1 mt -71.43 -38.43 68.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.212 179.436 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.96 -42.2 93.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.319 0.581 . . . . 0.0 109.654 178.902 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.04 -54.43 11.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.155 179.594 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 19.9 t -51.26 -31.47 21.16 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.07 0.462 . . . . 0.0 109.924 179.129 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.483 HG23 ' CG2' ' A' ' 98' ' ' VAL . 52.5 mt -73.6 -55.06 13.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.646 -0.707 . . . . 0.0 109.977 178.799 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.5 t -51.43 -30.46 19.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.151 -179.463 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -83.72 -33.11 25.18 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.91 0.386 . . . . 0.0 109.964 179.52 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.469 ' HZ3' HG11 ' A' ' 122' ' ' VAL . 12.0 mtpp -62.52 -25.58 68.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.16 178.511 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.88 63.37 0.39 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.539 -178.82 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.483 ' CG2' HG23 ' A' ' 93' ' ' ILE . 25.6 m -132.65 160.39 42.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.039 -179.401 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 5.6 mttm -95.64 69.52 2.97 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.552 -179.588 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 37.1 mt -126.5 108.29 18.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.363 179.146 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -120.93 166.79 13.32 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.604 179.774 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.686 HD12 ' H ' ' A' ' 103' ' ' ASP . 23.4 tp -89.91 143.47 26.76 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.211 0.529 . . . . 0.0 111.736 -179.605 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.686 ' H ' HD12 ' A' ' 102' ' ' LEU . 32.5 t70 -101.6 136.49 41.35 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 178.109 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 8.7 mmtp -92.75 -21.42 19.95 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -178.707 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 98.4 p -90.03 23.13 2.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.631 0.253 . . . . 0.0 111.087 179.953 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.552 ' HB1' ' SG ' ' A' ' 68' ' ' CYS . . . -77.13 -90.06 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -178.816 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.437 ' HB3' ' CD2' ' A' ' 108' ' ' HIS . 4.2 ttm180 174.21 -27.75 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.802 -177.228 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . 0.437 ' CD2' ' HB3' ' A' ' 107' ' ' ARG . 11.2 p80 -169.53 -169.04 0.86 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.446 -179.591 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 24.0 mt -118.14 70.2 0.8 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.115 0.483 . . . . 0.0 109.965 178.573 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.41 ' HB2' ' CE1' ' A' ' 108' ' ' HIS . 53.9 m-85 -135.95 122.93 21.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.23 -179.644 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 34.4 pt -105.32 161.33 5.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.948 -179.877 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 7.9 p -75.24 171.57 13.95 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.467 179.568 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -70.31 -36.09 74.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.065 0.46 . . . . 0.0 110.476 179.725 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -48.77 -61.63 1.94 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.3 179.989 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 21.3 m170 -62.55 -28.64 70.0 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.748 -179.087 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 16.6 ttpp -64.3 -53.29 51.27 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.986 0.422 . . . . 0.0 110.653 179.68 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -67.07 -34.13 77.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.187 -179.676 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.543 ' C ' HD23 ' A' ' 118' ' ' LEU . 7.0 tt -67.62 -50.2 59.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.064 -0.516 . . . . 0.0 112.03 -179.115 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.636 HG21 HG23 ' A' ' 89' ' ' ILE . 64.3 mt -74.05 -47.73 40.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 113.145 0.795 . . . . 0.0 113.145 -178.082 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -59.09 -42.2 89.91 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 -178.35 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 49.5 m -97.96 63.82 1.66 Allowed 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 -175.861 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.469 HG11 ' HZ3' ' A' ' 96' ' ' LYS . 42.8 t -130.0 -34.71 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.637 0.256 . . . . 0.0 110.47 177.507 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 25.5 mtp-105 -96.89 42.92 1.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.121 0.486 . . . . 0.0 109.842 178.571 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -105.74 120.57 42.04 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.144 -179.749 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.25 -42.19 0.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.035 179.801 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.49 -51.51 0.07 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.833 -0.622 . . . . 0.0 109.457 179.462 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 38.63 49.5 1.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.185 -0.916 . . . . 0.0 112.807 179.06 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.4 -35.13 5.04 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 177.74 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 28.7 mmtp 60.62 -165.9 0.21 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.134 178.962 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 143.3 -4.75 1.81 Allowed Glycine 0 CA--C 1.522 0.493 0 C-N-CA 121.004 -0.617 . . . . 0.0 112.533 -179.24 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 23.3 t . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.567 179.568 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 39.7 m . . . . . 0 N--CA 1.479 1.018 0 CA-C-O 121.364 0.602 . . . . 0.0 110.824 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 39.6 t-20 61.73 42.66 10.5 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.129 -0.941 . . . . 0.0 109.872 -178.31 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -152.32 132.54 13.58 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 114.99 -1.004 . . . . 0.0 109.017 178.908 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 74.88 72.87 0.99 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.072 -1.061 . . . . 0.0 110.523 -178.06 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -93.25 158.12 15.91 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.012 0.434 . . . . 0.0 111.234 -178.278 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -108.48 141.05 40.92 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.28 0.562 . . . . 0.0 111.512 179.921 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 42.4 t -44.11 143.76 1.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.386 -179.811 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 28.4 p -101.04 24.18 9.73 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.319 -179.94 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.436 HD12 ' ND1' ' A' ' 115' ' ' HIS . 88.6 mt -110.98 150.15 29.67 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 178.851 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.417 ' HA ' ' O ' ' A' ' 74' ' ' GLU . 9.3 mtp180 -119.77 111.9 18.57 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.842 0.353 . . . . 0.0 111.354 -179.393 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -94.93 103.21 15.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.259 179.334 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 69.25 46.63 0.77 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.868 -179.543 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 74.15 -4.62 31.23 Favored Glycine 0 CA--C 1.521 0.421 0 C-N-CA 120.907 -0.663 . . . . 0.0 113.358 179.671 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.417 ' O ' ' HA ' ' A' ' 70' ' ' ARG . 25.8 mm-40 -101.35 135.34 43.0 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 117.247 0.524 . . . . 0.0 110.807 -179.53 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.478 ' O ' ' N ' ' A' ' 77' ' ' GLY . 10.9 tpp85 -69.85 61.89 0.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.33 -178.405 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 6.9 t 48.87 -79.32 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 178.45 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 114.04 -24.22 11.98 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 120.676 -0.773 . . . . 0.0 111.963 -179.196 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 46.9 ttt85 -89.03 147.54 24.21 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 179.297 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -77.93 146.96 35.23 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.919 0.39 . . . . 0.0 111.528 -178.911 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.28 154.37 8.2 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.726 179.69 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -130.51 -132.03 3.38 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.161 -1.019 . . . . 0.0 114.049 -178.976 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -101.47 64.63 1.01 Allowed 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 111.925 0.342 . . . . 0.0 111.925 -178.348 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -163.48 179.67 7.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.975 0.417 . . . . 0.0 111.447 179.872 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 33.8 p -145.94 177.26 9.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.566 179.782 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -106.3 124.06 49.0 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.592 179.042 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 64.5 p -127.46 -169.33 2.03 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.982 0.42 . . . . 0.0 111.635 -178.479 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.411 ' H ' ' HG2' ' A' ' 87' ' ' LYS . 2.9 mmtm -76.32 -44.04 38.59 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.858 179.065 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.443 ' HD3' ' NH2' ' A' ' 123' ' ' ARG . 3.5 tmm_? -52.1 -37.88 55.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.684 -179.682 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.454 HG23 HD13 ' A' ' 119' ' ' ILE . 25.3 mt -69.43 -38.08 76.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.218 179.524 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -63.1 -44.53 95.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.192 0.52 . . . . 0.0 109.717 178.849 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -65.63 -47.55 75.23 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.78 179.254 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 35.5 t -54.06 -48.37 70.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.928 179.247 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 95.6 mt -64.42 -40.26 88.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.965 178.923 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 19.1 t -53.51 -53.97 43.92 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.972 179.941 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -57.71 -38.31 75.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.998 0.427 . . . . 0.0 110.043 179.81 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.435 ' HE2' HG21 ' A' ' 122' ' ' VAL . 10.6 mttm -67.17 -42.89 83.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.828 178.695 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 62.02 75.87 0.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.262 -0.881 . . . . 0.0 109.476 -178.574 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 20.3 m -127.82 -179.47 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.078 -179.245 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 7.2 mttp -91.15 55.95 3.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.951 0.405 . . . . 0.0 111.333 -179.737 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 62.9 mt -129.53 124.36 59.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.179 179.035 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -148.0 168.48 22.2 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.618 -179.545 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 34.2 tp -84.72 140.83 31.0 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.372 0.606 . . . . 0.0 111.332 179.697 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -79.6 144.34 33.92 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 177.752 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm -93.95 -29.88 15.03 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.623 -0.431 . . . . 0.0 111.428 -179.42 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 51.8 m -62.37 -36.23 81.63 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.161 179.993 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.5 153.72 38.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.878 -179.241 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.3 -76.5 0.53 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.308 -179.976 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -53.86 176.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.547 -179.157 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 89.1 mt -133.22 82.36 1.99 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.417 -0.811 . . . . 0.0 109.769 178.916 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -139.63 126.23 20.49 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.809 -179.138 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 28.5 pt -104.89 177.99 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.95 -179.802 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 7.8 p -93.14 165.2 12.94 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.369 179.515 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -64.31 -29.53 70.61 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.15 0.5 . . . . 0.0 110.259 179.744 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -56.73 -59.54 4.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.317 179.859 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . 0.436 ' ND1' HD12 ' A' ' 69' ' ' LEU . 15.9 m170 -66.23 -36.41 82.97 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.695 -179.425 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 12.1 ttpp -58.04 -53.03 62.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.146 0.498 . . . . 0.0 110.592 179.714 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 45.7 t30 -68.15 -35.38 77.98 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.219 -179.42 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.567 HD23 ' O ' ' A' ' 118' ' ' LEU . 2.1 tt -65.7 -41.99 91.72 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.631 -179.341 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.454 HD13 HG23 ' A' ' 89' ' ' ILE . 75.4 mt -86.14 -35.83 9.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 -177.99 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -73.35 -32.19 64.39 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 113.523 0.934 . . . . 0.0 113.523 -178.165 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.6 m -88.69 9.06 25.62 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 114.488 1.292 . . . . 0.0 114.488 -176.577 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 118' ' ' LEU . 84.8 t -93.67 -21.45 5.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 C-N-CA 120.269 -0.572 . . . . 0.0 110.562 178.869 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.443 ' NH2' ' HD3' ' A' ' 88' ' ' ARG . 30.4 mtm105 -102.38 48.73 0.86 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.148 0.499 . . . . 0.0 110.198 178.291 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 12.2 p-10 -101.07 100.14 10.68 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.536 -0.757 . . . . 0.0 110.501 179.873 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -125.64 -172.19 2.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.927 0.394 . . . . 0.0 111.364 -179.24 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 26.7 mtm-85 -84.61 -64.76 1.1 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.811 178.901 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 61.9 56.38 2.37 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.307 -0.86 . . . . 0.0 112.476 179.073 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 1.8 mtt85 -92.09 -10.12 40.15 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 177.457 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 16.4 mmtm 61.73 -94.33 0.04 OUTLIER 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.201 179.118 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 169.53 70.88 0.04 OUTLIER Glycine 0 N--CA 1.447 -0.628 0 N-CA-C 111.446 -0.662 . . . . 0.0 111.446 -179.419 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 4.5 m . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.134 -0.936 . . . . 0.0 110.646 -179.814 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 28.3 m . . . . . 0 N--CA 1.481 1.086 0 N-CA-C 110.673 -0.121 . . . . 0.0 110.673 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -90.23 -11.8 39.88 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 113.671 0.989 . . . . 0.0 113.671 -177.375 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -132.77 126.05 31.52 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 178.746 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.54 51.74 15.28 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.161 -1.019 . . . . 0.0 110.661 -178.229 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.95 169.09 1.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.023 0.439 . . . . 0.0 111.311 -178.829 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -115.75 155.28 28.07 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.025 -179.812 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 29.6 t -46.13 152.54 0.39 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.487 -179.813 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 25.1 p -114.18 18.64 16.95 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.377 179.796 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 72.2 mt -111.59 156.25 22.07 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 178.994 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.412 ' O ' ' HA ' ' A' ' 100' ' ' ILE . 37.0 mtt180 -120.02 128.97 54.02 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.774 0.321 . . . . 0.0 111.343 -179.42 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -109.41 107.92 18.26 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 178.762 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 59.48 36.13 22.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.724 -179.274 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 88.45 -15.09 57.88 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.81 -0.71 . . . . 0.0 113.097 179.639 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -89.64 135.86 33.37 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.044 0.449 . . . . 0.0 111.244 -179.64 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 6.9 tpp85 -77.3 67.53 3.26 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.556 -178.431 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 11.0 t 37.01 -101.5 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 178.357 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 138.34 -29.59 2.59 Favored Glycine 0 C--N 1.336 0.577 0 C-N-CA 120.425 -0.893 . . . . 0.0 112.234 -179.52 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 44.6 ttt180 -80.01 136.98 36.72 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 179.076 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.95 159.42 11.45 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.968 0.413 . . . . 0.0 111.57 -178.924 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.55 167.94 10.03 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.713 -179.443 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -132.51 -137.08 3.89 Favored Glycine 0 C--N 1.334 0.423 0 C-N-CA 120.539 -0.839 . . . . 0.0 113.804 -179.196 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -107.27 4.97 27.15 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 112.284 0.476 . . . . 0.0 112.284 -178.449 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.6 ' HB2' ' HD3' ' A' ' 116' ' ' LYS . . . -93.84 177.27 6.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.17 0.51 . . . . 0.0 111.595 -179.375 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 36.0 p -142.81 155.94 44.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.496 179.639 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -82.22 124.24 29.74 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 179.116 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 64.5 p -129.39 -175.92 3.73 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.12 0.486 . . . . 0.0 111.722 -179.052 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 16.7 ptmt -75.03 -38.69 61.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.013 179.17 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.55 -46.05 77.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.95 179.05 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.884 HG23 HG21 ' A' ' 119' ' ' ILE . 19.7 mt -60.8 -43.33 95.16 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 178.685 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -55.19 -49.12 72.71 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.009 -0.542 . . . . 0.0 109.826 178.885 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -57.06 -47.24 81.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.93 179.511 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.412 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 3.3 m -53.56 -52.95 58.1 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.178 -0.464 . . . . 0.0 109.806 178.944 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 66.3 mt -53.1 -55.34 12.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.257 179.066 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 40.6 t -49.58 -45.22 47.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.052 -179.941 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -61.3 -42.31 98.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.05 179.591 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.412 ' HG3' ' O ' ' A' ' 92' ' ' SER . 3.4 mtpm? -71.16 -31.54 67.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.982 178.923 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 6.7 tptm 58.12 71.42 0.58 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.429 -178.515 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 29.2 m -127.81 169.85 18.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.257 -179.218 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -86.05 71.76 10.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.473 -179.713 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.412 ' HA ' ' O ' ' A' ' 70' ' ' ARG . 40.0 mt -142.15 104.07 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.463 179.339 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.2 pm0 -121.63 178.5 4.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.621 179.761 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.483 ' HG ' ' N ' ' A' ' 103' ' ' ASP . 0.6 OUTLIER -93.57 142.8 26.94 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.259 0.552 . . . . 0.0 112.198 -179.196 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.483 ' N ' ' HG ' ' A' ' 102' ' ' LEU . 11.3 t70 -82.48 129.6 34.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.391 -0.822 . . . . 0.0 108.889 177.559 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.423 ' HB2' ' HE3' ' A' ' 104' ' ' LYS . 43.3 mtmt -90.05 -16.1 30.43 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 121.014 -0.274 . . . . 0.0 111.734 -179.63 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.2 p -87.2 18.21 3.83 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.567 0.223 . . . . 0.0 111.007 179.576 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -88.21 175.15 7.82 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-O 121.288 0.566 . . . . 0.0 111.483 -179.736 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -131.12 1.85 4.26 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.298 -0.864 . . . . 0.0 111.306 179.557 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 29.7 p80 -149.96 164.35 35.69 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 120.868 0.366 . . . . 0.0 110.744 -179.466 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 93.8 mt -120.33 72.66 0.96 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.052 179.217 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -137.97 112.03 8.47 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.421 -179.927 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 32.7 pt -87.8 173.1 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.951 179.956 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 8.4 p -89.81 165.15 14.31 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.625 179.652 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.16 -38.9 88.11 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.09 0.471 . . . . 0.0 110.356 179.746 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.433 ' O ' ' HB2' ' A' ' 118' ' ' LEU . 85.6 t80 -49.68 -62.63 1.45 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.276 -179.755 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 13.7 m170 -64.57 -26.65 68.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.773 -179.062 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.6 ' HD3' ' HB2' ' A' ' 83' ' ' ALA . 13.4 ttpp -66.49 -54.66 21.43 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.863 -179.982 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -71.28 -27.47 63.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.127 -179.283 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.433 ' HB2' ' O ' ' A' ' 114' ' ' TYR . 3.1 tt -74.05 -43.44 57.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.692 -179.15 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.884 HG21 HG23 ' A' ' 89' ' ' ILE . 77.2 mt -84.35 -36.94 12.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 -178.075 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.429 ' HB2' ' O ' ' A' ' 116' ' ' LYS . 18.9 mt-30 -66.67 -34.3 77.56 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 -178.74 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 57.8 m -82.43 39.56 0.61 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 114.741 1.385 . . . . 0.0 114.741 -175.927 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.4 HG21 ' HE2' ' A' ' 96' ' ' LYS . 33.3 t -128.57 -41.48 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.025 0.441 . . . . 0.0 110.064 177.835 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 1.3 mtp-105 -133.37 70.1 1.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.897 177.777 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -126.78 73.9 1.44 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.84 -179.656 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -128.39 9.35 6.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.458 -179.99 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 15.8 ttt180 -120.2 70.01 0.87 Allowed 'General case' 0 N--CA 1.455 -0.211 0 CA-C-O 121.326 0.584 . . . . 0.0 110.23 179.421 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.83 -31.63 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.426 179.672 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -82.74 165.72 19.68 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 177.441 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 8.6 mtpp -88.01 -142.07 0.12 Allowed 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.358 -179.8 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 162.2 46.43 0.02 OUTLIER Glycine 0 C--N 1.338 0.665 0 N-CA-C 111.406 -0.678 . . . . 0.0 111.406 179.525 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 14.7 t . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.205 -0.903 . . . . 0.0 111.102 -179.528 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.3 m . . . . . 0 N--CA 1.484 1.226 0 CA-C-O 120.471 0.177 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -75.0 52.9 0.57 Allowed 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 -178.318 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -144.26 70.67 1.29 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 178.685 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 144.29 81.09 0.05 OUTLIER Glycine 0 N--CA 1.449 -0.487 0 N-CA-C 110.851 -0.899 . . . . 0.0 110.851 -178.67 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.39 -165.83 1.29 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.046 0.45 . . . . 0.0 111.28 -178.755 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 79' ' ' ALA . 85.9 mt -131.61 145.56 51.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.6 179.666 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.453 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 36.8 t -48.69 139.13 9.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.808 179.735 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.49 ' HA ' ' NH1' ' A' ' 75' ' ' ARG . 52.8 m -109.41 31.93 5.39 Favored 'General case' 0 N--CA 1.462 0.127 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -178.715 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 94.2 mt -111.97 155.63 23.42 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 178.694 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.413 ' HA ' ' O ' ' A' ' 74' ' ' GLU . 11.8 mtp180 -123.95 108.27 12.23 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.773 0.321 . . . . 0.0 111.439 -179.761 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.423 ' O ' ' HB2' ' A' ' 74' ' ' GLU . 34.5 tt0 -99.87 113.19 25.56 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.156 179.164 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 52.04 46.08 27.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.016 0.436 . . . . 0.0 110.739 -179.353 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 78.99 0.47 82.34 Favored Glycine 0 CA--C 1.519 0.305 0 C-N-CA 120.881 -0.676 . . . . 0.0 113.346 179.396 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.423 ' HB2' ' O ' ' A' ' 71' ' ' GLU . 17.7 mm-40 -101.01 124.82 47.32 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 117.286 0.543 . . . . 0.0 111.509 -179.955 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.583 ' O ' ' N ' ' A' ' 77' ' ' GLY . 2.4 mmm180 -85.53 55.33 3.46 Favored 'General case' 0 C--O 1.223 -0.336 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.914 -179.914 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.453 ' HB3' ' HB3' ' A' ' 67' ' ' CYS . 0.5 OUTLIER 39.23 -73.27 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 179.923 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.583 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 96.81 -24.46 30.92 Favored Glycine 0 N--CA 1.449 -0.46 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 -179.144 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 37.7 ttt180 -69.96 143.63 52.59 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.424 -0.388 . . . . 0.0 110.553 179.433 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.433 ' HA ' HD23 ' A' ' 66' ' ' LEU . . . -62.15 148.63 43.87 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.623 -179.613 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.86 154.37 41.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.639 178.789 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -131.68 -151.86 7.02 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 119.816 -1.183 . . . . 0.0 113.936 -178.831 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -85.25 60.26 6.13 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.06 -0.57 . . . . 0.0 111.282 -178.792 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.835 ' HB2' ' HD3' ' A' ' 116' ' ' LYS . . . -151.67 164.97 35.79 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.209 179.938 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.3 m -140.2 165.58 27.0 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.318 179.866 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -96.82 94.67 7.39 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 178.853 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 64.0 p -100.05 -170.38 1.87 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.141 -179.27 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.26 -43.46 33.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.461 178.688 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -51.45 -36.7 45.18 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 120.99 0.424 . . . . 0.0 110.029 179.981 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.812 HG23 HG21 ' A' ' 119' ' ' ILE . 26.2 mt -69.68 -43.29 80.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.696 178.788 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -58.45 -37.64 75.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.98 179.095 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.52 -46.0 64.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.851 179.322 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.462 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 8.2 t -54.94 -37.95 67.1 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.563 179.014 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 79.7 mt -73.63 -41.94 55.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.523 179.079 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.21 -36.17 72.72 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.261 -179.863 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -77.63 -25.86 50.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.815 0.341 . . . . 0.0 110.436 179.778 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.462 ' HG3' ' O ' ' A' ' 92' ' ' SER . 1.4 mtpp -81.94 -49.72 9.97 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.263 178.806 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.417 ' HB2' ' O ' ' A' ' 96' ' ' LYS . 49.4 mmtt 70.46 72.72 0.21 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.372 -178.012 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 16.0 m -122.51 174.02 7.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.507 -0.769 . . . . 0.0 111.53 -179.154 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 5.8 mttm -83.85 57.08 3.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.674 -179.6 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 79.4 mt -121.32 135.83 60.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.318 179.236 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -154.59 179.92 8.59 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.643 179.465 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 5.1 tp -110.48 135.44 51.16 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.158 0.504 . . . . 0.0 111.705 -179.714 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -83.66 144.39 29.44 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 177.969 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 3.8 mmmp? -96.71 -6.57 36.08 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -178.645 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 21.5 p -82.73 3.45 29.19 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 121.124 -0.23 . . . . 0.0 111.104 179.301 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -74.61 -158.91 0.08 Allowed 'General case' 0 N--CA 1.456 -0.15 0 CA-C-O 120.994 0.426 . . . . 0.0 111.548 -179.292 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -159.36 21.93 0.19 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.362 179.355 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 16.0 p80 -174.74 175.74 2.38 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 120.977 0.417 . . . . 0.0 110.871 -178.405 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 54.2 mt -126.63 66.05 1.25 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.162 179.31 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 55.7 m-85 -128.83 100.33 5.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.328 179.877 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 36.9 pt -81.74 173.44 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.938 179.864 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 20.9 p -84.97 176.0 8.72 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.585 179.616 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -73.03 -37.53 66.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.972 0.415 . . . . 0.0 110.441 179.421 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -48.42 -57.86 5.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.193 -179.99 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 15.2 m80 -66.89 -37.12 83.8 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -179.294 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.835 ' HD3' ' HB2' ' A' ' 83' ' ' ALA . 13.7 ttpp -56.01 -52.64 63.5 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.962 0.411 . . . . 0.0 110.271 179.672 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -65.11 -45.99 82.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.846 179.805 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.644 HD23 ' O ' ' A' ' 118' ' ' LEU . 3.3 tt -56.53 -44.82 81.19 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.946 -179.125 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.812 HG21 HG23 ' A' ' 89' ' ' ILE . 77.5 mt -79.16 -49.78 19.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 -177.932 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -64.08 -19.75 65.46 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 -178.405 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 8.4 t -91.15 43.42 1.14 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 114.429 1.27 . . . . 0.0 114.429 -176.537 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.421 HG11 ' HZ2' ' A' ' 96' ' ' LYS . 57.1 t -126.53 -46.01 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 177.759 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 35.3 mtp180 -98.13 61.31 1.48 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.189 0.518 . . . . 0.0 109.782 178.566 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -72.85 58.47 0.46 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.15 179.914 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -110.41 -32.38 6.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.415 -179.503 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 3.9 mtm105 -139.98 -156.81 0.71 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.702 -179.769 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 4.8 mptt 72.46 17.06 4.81 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.03 0.382 . . . . 0.0 112.03 178.643 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.484 ' O ' ' N ' ' A' ' 130' ' ' GLY . 0.0 OUTLIER -132.06 -79.5 0.51 Allowed 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 178.605 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? 35.37 -86.58 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -179.985 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 128' ' ' ARG . . . -177.05 105.27 0.2 Allowed Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 121.062 -0.589 . . . . 0.0 111.81 -179.754 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 30.0 t . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.174 -0.917 . . . . 0.0 110.778 -179.672 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.727 0.299 . . . . 0.0 111.102 . . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -92.02 52.47 1.99 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.136 0.493 . . . . 0.0 110.474 179.583 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -165.89 119.14 1.13 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.085 179.535 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 175.42 -84.29 0.07 OUTLIER Glycine 0 CA--C 1.506 -0.524 0 C-N-CA 120.528 -0.844 . . . . 0.0 112.945 -179.335 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -89.42 -168.98 2.32 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-N 114.569 -0.816 . . . . 0.0 111.227 -179.717 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.485 ' HA ' ' HA ' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -136.36 168.86 18.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.19 -0.459 . . . . 0.0 112.081 179.893 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 48.3 t -79.09 145.72 33.63 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.934 -179.624 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 28.3 p -109.81 30.3 6.81 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -179.157 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.491 HD12 ' CG ' ' A' ' 115' ' ' HIS . 55.3 mt -109.86 159.53 17.15 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 177.8 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.401 ' HA ' ' O ' ' A' ' 74' ' ' GLU . 27.8 mtm180 -122.06 113.91 20.2 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.499 -0.318 . . . . 0.0 111.281 -179.747 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -105.27 103.2 12.69 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 178.864 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 64.97 48.66 2.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.559 -179.244 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 71.54 3.11 53.06 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.857 -0.687 . . . . 0.0 113.253 179.745 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.401 ' O ' ' HA ' ' A' ' 70' ' ' ARG . 5.7 mm-40 -105.14 134.35 48.38 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 117.16 0.48 . . . . 0.0 111.396 -179.838 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.47 ' O ' ' N ' ' A' ' 77' ' ' GLY . 0.0 OUTLIER -77.38 60.02 1.95 Allowed 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.34 -179.378 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 5.7 t 44.14 -80.93 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 178.948 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 108.16 -26.89 15.57 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.578 -0.82 . . . . 0.0 111.695 -178.896 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 30.3 ttt85 -78.63 134.37 37.17 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 179.152 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.485 ' HA ' ' HA ' ' A' ' 66' ' ' LEU . . . -56.34 158.91 3.89 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.873 0.368 . . . . 0.0 111.888 -178.75 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.41 160.94 31.02 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.138 -179.884 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -122.32 -126.27 3.19 Favored Glycine 0 C--N 1.333 0.363 0 C-N-CA 120.344 -0.931 . . . . 0.0 114.083 -178.943 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -107.5 -36.11 6.56 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -178.11 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.77 154.85 35.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.033 0.444 . . . . 0.0 111.659 -179.353 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 28.8 p -122.36 167.72 12.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.508 179.449 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -90.15 110.23 21.26 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.758 179.144 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 59.8 p -118.42 -158.15 0.71 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.336 -178.809 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.41 ' O ' ' HB3' ' A' ' 90' ' ' GLN . 1.4 mttp -79.89 -51.51 9.03 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-O 121.371 0.605 . . . . 0.0 111.524 179.362 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -51.81 -43.43 63.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.103 -179.056 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 9.8 mt -64.56 -36.69 78.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 C-N-CA 120.662 -0.415 . . . . 0.0 109.95 179.128 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.41 ' HB3' ' O ' ' A' ' 87' ' ' LYS . 0.9 OUTLIER -64.48 -52.71 56.53 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-O 121.555 0.693 . . . . 0.0 109.27 178.785 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.404 ' HG2' ' OE1' ' A' ' 90' ' ' GLN . 1.1 mmmp? -55.6 -42.84 75.42 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 114.599 -1.182 . . . . 0.0 110.121 179.064 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.432 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 3.2 m -58.77 -50.95 72.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.723 178.595 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 85.4 mt -61.5 -31.37 50.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.396 179.262 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.414 ' O ' ' HG2' ' A' ' 97' ' ' LYS . 2.6 t -62.98 -49.5 74.45 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.36 -179.958 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -68.5 -30.81 69.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.034 0.445 . . . . 0.0 110.196 179.793 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.647 ' HZ3' HG11 ' A' ' 122' ' ' VAL . 15.1 mtpp -72.81 -39.18 66.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.613 179.45 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.414 ' HG2' ' O ' ' A' ' 94' ' ' SER . 9.1 mmtp 57.95 70.49 0.65 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.809 -178.844 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 15.4 m -124.81 159.24 31.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.048 -179.36 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 3.6 mttp -72.46 59.57 0.44 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.856 0.36 . . . . 0.0 111.233 -179.895 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 53.6 mt -138.1 109.48 5.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.968 179.599 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -139.07 166.34 24.76 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.338 179.714 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -80.61 143.28 33.26 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.935 -179.199 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -99.47 117.52 34.06 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 178.089 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 20.6 mtmm -75.72 -19.2 59.26 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 111.746 0.276 . . . . 0.0 111.746 -178.768 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 57.5 p -83.6 7.81 16.16 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 121.228 -0.189 . . . . 0.0 111.33 179.679 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.406 ' O ' ' HB2' ' A' ' 107' ' ' ARG . . . -75.43 -99.85 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 111.63 0.233 . . . . 0.0 111.63 -179.476 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.406 ' HB2' ' O ' ' A' ' 106' ' ' ALA . 35.1 ttt-85 176.08 -63.36 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.179 0 CA-C-O 121.217 0.532 . . . . 0.0 110.616 -178.804 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 27.2 p80 -115.54 -155.34 0.57 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.659 -179.078 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 67.7 mt -126.48 -118.76 0.26 Allowed 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 178.651 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 55.73 97.82 0.02 OUTLIER 'General case' 0 C--N 1.34 0.192 0 CA-C-O 120.985 0.421 . . . . 0.0 111.727 179.35 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 28.6 pt -88.01 155.68 3.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.408 179.35 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 16.1 p -74.18 164.09 27.04 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.73 179.818 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -64.37 -32.98 74.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.102 0.477 . . . . 0.0 110.229 179.566 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -52.59 -56.48 15.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.296 179.937 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . 0.491 ' CG ' HD12 ' A' ' 69' ' ' LEU . 14.7 m80 -68.96 -38.77 79.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.663 -179.383 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 16.1 ttpp -52.76 -52.54 56.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.103 0.478 . . . . 0.0 110.56 179.753 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -68.95 -45.15 71.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.356 -179.466 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.535 HD23 ' O ' ' A' ' 118' ' ' LEU . 5.8 tt -55.74 -35.93 66.7 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.719 -179.43 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 87.5 mt -92.56 -39.92 11.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 113.21 0.818 . . . . 0.0 113.21 -177.971 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -73.02 -41.85 63.81 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 -177.937 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.4 t -92.28 37.43 0.99 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 -175.014 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.647 HG11 ' HZ3' ' A' ' 96' ' ' LYS . 55.3 t -97.78 -47.54 12.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 177.297 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -107.95 -19.22 13.58 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.636 177.085 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 58.4 56.09 4.58 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 -178.964 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.86 116.76 16.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.996 -178.645 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 19.6 mtp85 -147.99 173.8 12.54 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.837 178.873 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 6.8 ttmm -77.21 158.72 30.17 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.791 0.329 . . . . 0.0 110.905 -179.581 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.64 139.39 49.08 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.176 179.353 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.68 -5.8 0.81 Allowed 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.422 0.526 . . . . 0.0 112.422 179.366 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 155.1 -24.04 0.6 Allowed Glycine 0 N--CA 1.447 -0.574 0 N-CA-C 111.345 -0.702 . . . . 0.0 111.345 -178.948 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 13.3 t . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.248 -0.882 . . . . 0.0 111.049 179.566 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.488 1.43 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 . . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 13.6 p30 -154.83 -26.3 0.12 Allowed 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 179.135 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -136.37 100.88 4.5 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 177.654 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 101.14 52.08 1.1 Allowed Glycine 0 N--CA 1.452 -0.261 0 N-CA-C 110.623 -0.991 . . . . 0.0 110.623 -178.041 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.426 HE21 ' HB3' ' A' ' 80' ' ' ALA . 3.0 mt-30 -96.95 172.3 7.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.068 0.461 . . . . 0.0 111.639 -178.3 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 42.9 mt -135.73 137.5 41.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.717 179.968 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.401 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 44.3 t -40.69 147.01 0.13 Allowed 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.357 179.665 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 21.8 m -110.48 30.21 7.0 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -179.085 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 74.0 mt -113.55 141.38 47.23 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 178.342 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.44 ' NH2' ' HA2' ' A' ' 73' ' ' GLY . 55.9 mtp180 -109.61 114.29 27.78 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.943 0.402 . . . . 0.0 111.649 -179.21 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -96.69 104.64 16.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.911 179.155 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 57.0 42.28 26.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.032 0.444 . . . . 0.0 110.511 -179.468 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.44 ' HA2' ' NH2' ' A' ' 70' ' ' ARG . . . 84.15 0.96 89.67 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.772 -0.728 . . . . 0.0 113.129 179.921 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -104.15 123.87 48.06 Favored 'General case' 0 CA--C 1.521 -0.14 0 CA-C-N 117.121 0.46 . . . . 0.0 111.273 179.95 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' A' ' 77' ' ' GLY . 1.8 mmm-85 -75.16 60.49 1.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.471 -179.139 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.401 ' HB3' ' HB3' ' A' ' 67' ' ' CYS . 18.7 t 39.81 -82.37 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 179.008 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 115.31 -31.34 6.26 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.803 -0.713 . . . . 0.0 111.723 -179.383 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.415 ' HD3' ' HB2' ' A' ' 112' ' ' CYS . 11.8 ttt85 -67.14 144.24 56.16 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 179.645 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.41 160.96 7.96 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.778 0.323 . . . . 0.0 111.154 -179.863 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.426 ' HB3' HE21 ' A' ' 65' ' ' GLN . . . -79.53 145.14 33.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 109.989 178.971 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -104.32 -137.01 9.05 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.442 -0.885 . . . . 0.0 114.032 -178.442 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -110.34 2.81 19.31 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -178.354 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.444 ' HB2' ' CD ' ' A' ' 116' ' ' LYS . . . -88.66 168.88 12.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.032 0.444 . . . . 0.0 111.69 -179.486 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.3 m -129.37 162.15 28.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.369 179.702 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -98.15 117.38 32.39 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 178.942 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 68.0 p -122.99 -164.46 1.2 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.252 -179.11 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.49 ' HD3' ' N ' ' A' ' 87' ' ' LYS . 0.3 OUTLIER -80.71 -40.53 25.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.433 179.092 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.54 -38.37 71.77 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.889 -179.96 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.65 HG23 HG21 ' A' ' 119' ' ' ILE . 29.7 mt -71.54 -40.51 71.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.148 179.16 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.08 -37.79 86.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.803 178.878 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.54 -47.86 65.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.755 179.306 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 14.0 t -55.14 -40.83 71.02 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.966 178.975 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.41 HD11 HD13 ' A' ' 119' ' ' ILE . 96.9 mt -67.76 -44.1 85.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.139 179.021 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 36.5 m -57.38 -53.86 53.37 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.081 -179.962 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 21.1 tp60 -63.21 -37.84 88.82 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 179.574 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 8.4 mtpp -56.34 -39.33 72.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.019 178.844 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 10.9 mttt 67.1 78.23 0.25 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.618 -179.035 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 14.0 m -142.54 -178.18 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.108 -179.17 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 33.1 mttm -103.9 68.44 0.91 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.966 0.412 . . . . 0.0 111.486 -179.768 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 40.0 mt -142.46 103.92 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.218 179.166 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -125.16 159.09 32.34 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.444 179.533 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.407 HD23 ' HE3' ' A' ' 104' ' ' LYS . 2.7 tp -76.67 132.88 39.63 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.097 0.475 . . . . 0.0 111.811 -179.563 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -80.9 113.18 18.93 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 178.094 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.407 ' HE3' HD23 ' A' ' 102' ' ' LEU . 3.1 mmpt? -71.82 -12.01 61.08 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -178.944 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 78.5 p -94.59 31.99 1.68 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.781 0.324 . . . . 0.0 110.717 179.703 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -103.0 -152.47 0.45 Allowed 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.382 -179.602 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.4 ' HB2' ' CZ ' ' A' ' 107' ' ' ARG . 0.0 OUTLIER -134.03 -76.75 0.47 Allowed 'General case' 0 N--CA 1.456 -0.172 0 CA-C-O 121.189 0.518 . . . . 0.0 111.37 -179.843 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 29.9 p80 -86.89 175.77 8.01 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.582 -0.735 . . . . 0.0 112.05 -178.752 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 39.8 mt -120.74 70.27 0.9 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.857 178.989 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -135.04 117.42 15.7 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.799 -179.418 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 25.5 pt -92.33 172.38 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.956 -179.887 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . 0.415 ' HB2' ' HD3' ' A' ' 78' ' ' ARG . 8.2 p -88.09 168.07 13.11 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.516 179.661 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -65.66 -35.7 81.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.027 0.442 . . . . 0.0 110.474 179.62 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -55.49 -61.22 2.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.18 -179.964 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 14.4 m170 -65.91 -26.96 67.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.763 -179.395 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.444 ' CD ' ' HB2' ' A' ' 83' ' ' ALA . 15.7 ttpp -67.19 -53.69 28.03 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.954 0.407 . . . . 0.0 110.559 179.669 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -68.45 -26.8 65.68 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.031 -179.589 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.534 ' O ' HG23 ' A' ' 122' ' ' VAL . 6.9 tt -75.21 -46.38 34.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.776 -179.354 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.65 HG21 HG23 ' A' ' 89' ' ' ILE . 64.1 mt -81.15 -45.58 20.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -178.142 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.406 ' HB2' ' O ' ' A' ' 116' ' ' LYS . 17.5 mt-30 -59.09 -37.43 77.11 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 -178.66 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.494 ' HA ' ' ND2' ' A' ' 124' ' ' ASN . 10.1 t -107.98 62.23 0.61 Allowed 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 114.419 1.266 . . . . 0.0 114.419 -176.342 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 118' ' ' LEU . 85.9 t -146.03 -33.65 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 120.668 0.271 . . . . 0.0 110.843 177.863 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 16.7 mmm-85 -97.41 28.12 3.88 Favored 'General case' 0 CA--C 1.529 0.163 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 177.769 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . 0.494 ' ND2' ' HA ' ' A' ' 121' ' ' SER . 1.1 p30 -126.43 -4.8 6.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.927 -0.579 . . . . 0.0 112.095 -178.288 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 -117.29 177.17 4.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.197 0.522 . . . . 0.0 111.504 -179.296 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 15.0 mtm105 -145.68 28.42 1.17 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.095 178.897 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 5.8 ttpp 64.55 49.55 2.36 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.58 -0.736 . . . . 0.0 112.041 179.372 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 8.5 ttm-85 -56.63 -29.71 62.51 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 178.359 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 63.0 -85.65 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.646 -179.354 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -131.23 -62.98 0.09 OUTLIER Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.861 -0.685 . . . . 0.0 111.868 179.931 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 28.8 m . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.184 -0.912 . . . . 0.0 111.314 179.854 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 041 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 38.3 m . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.796 0.331 . . . . 0.0 111.743 . . . . . . . . . 0 0 . 1 . 041 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -170.32 30.96 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.29 0.567 . . . . 0.0 110.675 178.278 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -143.29 147.29 34.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.161 -0.927 . . . . 0.0 108.891 178.976 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.89 47.56 5.82 Favored Glycine 0 N--CA 1.45 -0.407 0 N-CA-C 110.561 -1.016 . . . . 0.0 110.561 -178.135 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -71.27 -179.27 2.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.289 -0.455 . . . . 0.0 111.3 -178.784 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 52.2 mt -108.79 150.61 27.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.987 -179.966 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 46.9 t -51.84 144.55 11.19 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.864 179.627 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 27.6 p -106.35 20.78 18.46 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.849 0.357 . . . . 0.0 111.902 -179.64 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 88.4 mt -115.41 155.83 26.7 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 178.632 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 46.8 mtp180 -121.45 129.88 53.24 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.873 0.368 . . . . 0.0 111.291 -179.277 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -107.74 94.06 4.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.781 178.846 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 67.75 51.45 0.8 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.282 -179.039 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 72.68 9.15 74.02 Favored Glycine 0 N--CA 1.451 -0.356 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.981 179.936 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -109.35 120.22 41.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.948 0.404 . . . . 0.0 111.014 -179.378 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 77' ' ' GLY . 20.7 mmm-85 -76.06 60.12 1.39 Allowed 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.67 -178.813 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 35.42 -85.56 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 113.801 1.037 . . . . 0.0 113.801 179.291 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 113.16 -29.35 8.06 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.705 -0.76 . . . . 0.0 111.822 -177.945 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 45.1 ttt85 -72.53 136.19 45.81 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.742 0.306 . . . . 0.0 110.485 179.435 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -50.46 157.02 0.77 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.003 0.43 . . . . 0.0 111.926 -179.327 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -86.13 147.13 26.29 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.135 178.988 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -107.98 -128.73 5.89 Favored Glycine 0 CA--C 1.518 0.267 0 C-N-CA 120.462 -0.875 . . . . 0.0 113.82 -178.694 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -108.74 15.11 23.89 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -178.852 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.446 ' HB2' ' HD3' ' A' ' 116' ' ' LYS . . . -100.62 154.77 18.3 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.058 0.456 . . . . 0.0 111.801 -179.431 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 28.6 p -119.51 -168.35 1.57 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.007 179.204 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -123.47 144.16 49.7 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.973 179.522 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 85.7 p -146.72 -174.54 4.5 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.022 0.439 . . . . 0.0 111.327 -179.292 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.406 ' HE3' ' HA ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -78.03 -39.86 40.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.735 178.849 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -54.29 -37.01 64.29 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.287 179.318 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.957 HG23 HG21 ' A' ' 119' ' ' ILE . 50.3 mt -72.65 -34.76 48.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.971 179.151 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.3 -36.89 80.04 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 121.473 0.654 . . . . 0.0 109.405 178.545 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.39 -44.97 77.58 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 114.86 -1.064 . . . . 0.0 109.941 179.512 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 25.1 t -61.9 -42.79 99.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.862 179.011 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 89' ' ' ILE . 97.0 mt -61.83 -41.47 90.82 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.122 179.031 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 53.9 m -59.5 -41.1 89.08 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 10.2 tp60 -64.7 -33.99 77.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.984 0.421 . . . . 0.0 110.08 179.209 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.605 ' HE2' HG21 ' A' ' 122' ' ' VAL . 1.0 OUTLIER -74.85 -31.87 61.76 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.007 178.965 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 39.4 mmtt 61.46 69.86 0.63 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.563 -178.529 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 34.5 m -134.66 176.34 9.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.58 -0.737 . . . . 0.0 111.202 -179.222 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.7 mttm -94.5 75.27 3.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.253 -179.928 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 68.2 mt -144.79 99.22 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.492 179.307 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -139.79 165.16 28.04 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.312 179.686 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.9 135.87 40.12 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.179 0.514 . . . . 0.0 111.829 -179.172 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -86.55 123.14 31.43 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.096 178.411 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.9 mmmp? -67.14 -7.63 24.87 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -179.316 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 89.0 p -72.08 -26.23 62.07 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 120.593 0.235 . . . . 0.0 111.632 179.995 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -80.33 -164.06 0.64 Allowed 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -179.096 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.432 ' HB3' ' NH1' ' A' ' 107' ' ' ARG . 10.1 mtm105 -146.09 -61.96 0.32 Allowed 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.948 179.683 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 22.8 p80 -61.75 172.82 1.16 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.891 -178.971 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 83.5 mt -125.75 81.82 2.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.186 179.184 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -144.72 128.24 17.03 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.24 179.998 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 21.5 pt -118.55 163.48 15.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.908 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 8.3 p -82.38 160.63 22.75 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.464 179.559 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -60.85 -33.98 73.89 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.09 0.471 . . . . 0.0 110.199 179.924 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.428 ' O ' ' HB2' ' A' ' 118' ' ' LEU . 53.5 t80 -49.75 -54.43 18.98 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.003 179.904 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 18.1 m170 -76.69 -37.25 56.48 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -179.245 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.446 ' HD3' ' HB2' ' A' ' 83' ' ' ALA . 7.5 ttpp -55.61 -44.91 77.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.075 0.464 . . . . 0.0 110.658 -179.967 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -79.65 -37.58 35.66 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.231 -178.806 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.662 HD23 ' O ' ' A' ' 118' ' ' LEU . 6.0 tt -61.45 -31.71 71.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.279 179.977 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.957 HG21 HG23 ' A' ' 89' ' ' ILE . 89.9 mt -92.27 -52.96 9.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 -178.321 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -52.86 -40.06 63.1 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 113.682 0.993 . . . . 0.0 113.682 -178.125 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' A' ' 124' ' ' ASN . 80.4 p -74.77 24.16 0.09 Allowed 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 115.135 1.532 . . . . 0.0 115.135 -175.81 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.605 HG21 ' HE2' ' A' ' 96' ' ' LYS . 97.7 t -103.62 -29.95 2.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 118.465 0.575 . . . . 0.0 109.853 177.959 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 15.7 mtm180 -123.44 12.41 9.38 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.516 178.275 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . 0.406 ' O ' ' HA ' ' A' ' 121' ' ' SER . 22.5 t-20 -159.96 99.62 1.38 Allowed 'General case' 0 CA--C 1.528 0.098 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 179.922 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 28.8 mtm-85 -76.28 -177.25 3.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.197 0.523 . . . . 0.0 112.272 -178.796 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.39 -31.99 18.58 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.819 178.957 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.58 172.77 0.06 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.521 179.191 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 4.4 mtt-85 54.04 -168.83 0.06 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.157 179.121 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.405 ' HD3' ' O ' ' A' ' 129' ' ' LYS . 0.3 OUTLIER -144.46 -37.24 0.31 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.006 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 161.6 167.21 21.71 Favored Glycine 0 N--CA 1.446 -0.64 0 N-CA-C 111.49 -0.644 . . . . 0.0 111.49 179.455 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 13.3 t . . . . . 0 C--O 1.251 1.149 0 CA-C-O 118.296 -0.859 . . . . 0.0 110.744 179.705 . . . . . . . . 0 0 . 1 . 041 nuclear nobuild full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.9 m . . . . . 0 N--CA 1.485 1.314 0 CA-C-O 120.405 0.145 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -153.63 90.48 1.4 Allowed 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 120.929 0.395 . . . . 0.0 111.045 -179.856 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -83.85 135.3 34.56 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 178.188 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 88.32 63.4 1.37 Allowed Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.337 -0.935 . . . . 0.0 110.931 -178.338 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.03 -172.27 3.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.021 0.439 . . . . 0.0 111.371 -178.854 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 28.2 mt -117.97 169.56 9.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.973 -179.813 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.456 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 13.8 t -66.41 150.57 48.7 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.099 -179.924 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 20.6 p -105.98 -5.41 19.59 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.67 -0.241 . . . . 0.0 111.515 179.48 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 86.3 mt -95.04 153.93 17.41 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 178.969 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 52.9 mtp180 -124.25 125.22 44.03 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.939 -179.73 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -101.93 107.46 18.62 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.979 0.419 . . . . 0.0 110.334 179.439 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 58.97 44.55 16.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.954 -179.575 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 85.71 -19.34 25.27 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.786 -0.721 . . . . 0.0 113.058 179.674 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -82.5 121.32 26.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.85 0.325 . . . . 0.0 111.009 -179.749 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.558 ' O ' ' N ' ' A' ' 77' ' ' GLY . 1.2 mmm180 -76.53 58.96 1.42 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.316 -179.524 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.456 ' HB3' ' HB3' ' A' ' 67' ' ' CYS . 0.8 OUTLIER 40.22 -75.35 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 179.734 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.558 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 100.13 -25.35 28.63 Favored Glycine 0 N--CA 1.448 -0.515 0 N-CA-C 111.297 -0.721 . . . . 0.0 111.297 -178.939 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 45.8 ttt180 -69.06 147.55 51.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.812 0.339 . . . . 0.0 110.39 179.693 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.28 144.97 52.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.735 -179.316 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.38 152.53 44.87 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.01 179.115 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -114.51 -164.44 14.86 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.403 -0.903 . . . . 0.0 113.631 -178.93 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -84.85 13.15 6.19 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.637 -0.281 . . . . 0.0 111.747 -179.251 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -107.55 149.32 28.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.995 0.426 . . . . 0.0 111.278 179.936 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -125.59 134.47 51.92 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.71 179.77 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -49.1 112.65 0.66 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.15 179.11 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 11.6 p -115.19 -169.48 1.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.56 -178.63 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.426 ' NZ ' ' HB2' ' A' ' 87' ' ' LYS . 0.9 OUTLIER -77.26 -50.24 13.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.031 179.485 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.94 -39.31 62.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.661 -179.946 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 8.0 mt -66.92 -39.19 82.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 178.873 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 8.1 tm0? -59.72 -47.19 86.64 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.784 178.83 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.3 -41.73 97.48 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.006 179.488 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.421 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 27.2 t -57.67 -49.13 77.51 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 178.736 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 62.2 mt -57.02 -43.08 80.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.38 179.071 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.1 m -63.19 -37.8 88.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.157 -179.865 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -77.59 -37.06 51.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.945 0.403 . . . . 0.0 110.035 179.28 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.754 ' HE2' HG11 ' A' ' 122' ' ' VAL . 5.3 mtpm? -67.68 -38.01 83.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.148 178.9 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.25 78.43 0.25 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.633 -178.411 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 15.4 m -136.33 175.85 9.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.954 -179.354 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 12.9 mttm -88.92 70.35 8.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.934 0.397 . . . . 0.0 111.239 -179.701 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 45.2 mt -141.5 112.93 3.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.367 179.214 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -129.43 168.96 15.54 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.419 -179.702 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -95.92 118.51 32.69 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.112 0.482 . . . . 0.0 112.064 -179.544 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -69.55 129.82 40.75 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 177.897 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 5.1 mtpt -83.05 -10.41 58.74 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.875 -0.33 . . . . 0.0 111.804 -179.47 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 25.9 m -64.35 -35.87 82.27 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.857 0.361 . . . . 0.0 111.127 179.938 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.4 164.44 11.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.2 0.524 . . . . 0.0 112.095 -179.053 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 2.3 ttm-85 -116.85 -22.56 8.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.091 179.666 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 24.7 p80 -109.78 156.18 20.65 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.112 0.482 . . . . 0.0 111.726 -178.8 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 81.1 mt -115.48 79.99 1.37 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.82 178.886 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -141.09 98.0 3.29 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.126 -179.647 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 30.9 pt -77.91 164.45 3.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.896 -179.925 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 25.1 p -82.05 172.87 12.73 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.396 179.578 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -72.25 -33.28 67.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.208 0.528 . . . . 0.0 110.08 179.691 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.409 ' O ' ' HB2' ' A' ' 118' ' ' LEU . 59.1 t80 -50.63 -61.45 2.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.4 -179.954 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -67.36 -32.95 74.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.991 -179.109 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 13.7 ttpp -59.22 -54.29 48.64 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.947 0.403 . . . . 0.0 110.811 -179.937 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -67.0 -39.54 87.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.959 -179.825 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.409 ' HB2' ' O ' ' A' ' 114' ' ' TYR . 2.4 tt -60.91 -39.81 90.77 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.777 -179.116 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 66.2 mt -88.54 -38.34 11.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 113.334 0.865 . . . . 0.0 113.334 -177.809 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -70.81 -36.28 72.88 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 -178.289 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.7 m -86.37 21.56 2.06 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 114.82 1.415 . . . . 0.0 114.82 -176.126 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.754 HG11 ' HE2' ' A' ' 96' ' ' LYS . 58.2 t -108.09 -14.97 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 C-N-CA 120.376 -0.53 . . . . 0.0 110.82 178.201 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 17.8 mtp180 -115.8 -11.87 11.54 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.211 177.951 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 11.7 t30 -144.51 67.87 1.26 Allowed 'General case' 0 CA--C 1.529 0.14 0 N-CA-C 109.851 -0.425 . . . . 0.0 109.851 179.892 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.4 ttp-105 -82.14 -86.88 0.1 Allowed 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.737 -178.773 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 7.2 ttm180 -128.27 -63.26 1.0 Allowed 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 179.547 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 8.9 mttp 67.37 20.28 9.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.418 -0.81 . . . . 0.0 112.192 179.058 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 48.2 -148.9 0.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.222 178.955 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 22.2 ttmt -138.11 9.46 2.77 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.656 -0.418 . . . . 0.0 111.33 178.077 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -138.79 -117.86 1.55 Allowed Glycine 0 C--N 1.335 0.522 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.495 179.852 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . 0.406 ' O ' ' OG ' ' A' ' 131' ' ' SER . 25.1 p . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.615 -0.707 . . . . 0.0 110.956 -179.823 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 043 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 90.8 p . . . . . 0 N--CA 1.482 1.127 0 CA-C-O 121.611 0.72 . . . . 0.0 111.75 . . . . . . . . . 0 0 . 1 . 043 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -144.51 17.82 1.68 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.847 -1.07 . . . . 0.0 110.303 179.043 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -133.91 42.76 2.9 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 179.351 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -134.09 66.93 0.56 Allowed Glycine 0 N--CA 1.45 -0.409 0 CA-C-N 115.513 -0.767 . . . . 0.0 112.036 -179.955 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -124.73 176.78 6.36 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.818 0.342 . . . . 0.0 110.675 -179.801 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -128.43 145.25 51.15 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.243 0.544 . . . . 0.0 111.755 179.52 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 47.9 t -46.07 138.64 5.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.156 -0.929 . . . . 0.0 111.525 -179.67 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 19.6 p -99.68 25.36 7.24 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.355 -179.957 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.486 HD12 ' ND1' ' A' ' 115' ' ' HIS . 81.5 mt -111.34 148.01 33.9 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 178.944 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.45 ' HG2' ' HD3' ' A' ' 75' ' ' ARG . 61.1 mtp180 -114.04 108.39 16.94 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.515 -0.312 . . . . 0.0 111.321 -179.554 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -92.68 120.02 32.67 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 178.92 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 55.61 25.52 8.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.665 -179.066 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 95.51 -16.82 60.49 Favored Glycine 0 C--N 1.332 0.36 0 C-N-CA 120.949 -0.643 . . . . 0.0 113.257 179.361 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -88.4 140.78 29.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.043 0.449 . . . . 0.0 111.485 -179.564 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.473 ' O ' ' N ' ' A' ' 77' ' ' GLY . 1.0 OUTLIER -72.85 61.35 0.55 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.987 -178.722 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 5.2 t 45.19 -82.14 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 178.829 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 114.52 -24.07 11.6 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.127 -179.263 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 16.3 ttt180 -89.23 140.44 29.47 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.333 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.11 151.87 34.45 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.016 0.436 . . . . 0.0 111.745 -178.778 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.78 163.09 5.96 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.389 -179.757 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -124.65 -145.54 6.64 Favored Glycine 0 C--N 1.333 0.396 0 C-N-CA 120.505 -0.855 . . . . 0.0 113.872 -179.034 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.443 ' N ' ' OD1' ' A' ' 82' ' ' ASN . 0.7 OUTLIER -95.0 -13.88 24.85 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -178.41 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.439 ' HB2' ' HD3' ' A' ' 116' ' ' LYS . . . -81.18 164.14 22.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.213 0.53 . . . . 0.0 111.979 -179.174 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -130.33 165.38 22.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.2 179.62 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -95.99 136.98 35.71 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.107 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -145.14 -162.5 1.51 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.926 0.393 . . . . 0.0 111.186 -179.254 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.22 -42.16 32.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.073 179.266 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.3 ttm180 -52.68 -47.75 67.0 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.451 179.554 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.572 HG23 HG21 ' A' ' 119' ' ' ILE . 27.5 mt -63.98 -36.2 76.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.293 -0.412 . . . . 0.0 109.945 179.326 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -59.43 -49.19 78.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.654 0.74 . . . . 0.0 109.146 178.296 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.29 -51.74 64.86 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.448 -1.251 . . . . 0.0 110.439 179.359 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -49.81 -48.19 50.88 Favored 'General case' 0 N--CA 1.461 0.109 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.656 179.368 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.456 HG23 ' CG2' ' A' ' 98' ' ' VAL . 73.0 mt -60.8 -51.9 67.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.463 179.215 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.9 m -50.03 -34.28 20.89 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.311 -179.82 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.16 -39.15 25.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.002 0.429 . . . . 0.0 110.185 179.694 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.508 ' HE2' ' HA ' ' A' ' 119' ' ' ILE . 35.6 mttp -65.76 -37.7 87.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.388 178.814 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 65.76 75.12 0.35 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.474 -178.305 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.456 ' CG2' HG23 ' A' ' 93' ' ' ILE . 10.0 m -130.14 160.2 41.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.13 -179.38 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 25.1 mttm -80.57 61.03 4.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.919 0.39 . . . . 0.0 111.429 -179.601 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 72.1 mt -131.52 107.64 13.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.253 179.07 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -124.66 149.53 47.05 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.384 179.917 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -84.22 124.96 31.76 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.072 0.463 . . . . 0.0 111.819 -179.628 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -64.77 137.06 57.57 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 177.609 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 4.0 mmtp -91.29 -23.35 20.17 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.628 -179.263 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 11.3 p -82.92 7.56 15.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.686 -0.234 . . . . 0.0 111.399 179.822 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -63.67 179.21 0.5 Allowed 'General case' 0 CA--C 1.519 -0.221 0 CA-C-O 121.458 0.646 . . . . 0.0 111.869 -179.499 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -114.1 -19.13 11.49 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.879 -179.869 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 16.7 p80 -158.94 -159.91 0.81 Allowed 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.487 -178.369 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 83.1 mt -119.49 -117.31 0.32 Allowed 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 178.539 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 59.79 121.38 0.01 OUTLIER 'General case' 0 C--N 1.34 0.156 0 CA-C-O 121.202 0.525 . . . . 0.0 111.882 179.456 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 35.1 pt -114.36 154.68 15.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.319 179.309 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 18.1 p -76.72 155.04 33.57 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.626 179.88 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.73 -37.1 58.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.114 0.483 . . . . 0.0 110.439 179.648 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 36.3 t80 -49.8 -59.12 4.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.17 -179.573 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . 0.486 ' ND1' HD12 ' A' ' 69' ' ' LEU . 23.7 m170 -67.51 -38.69 84.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.624 -179.504 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.439 ' HD3' ' HB2' ' A' ' 83' ' ' ALA . 8.2 ttpp -55.17 -51.22 67.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.072 0.463 . . . . 0.0 110.51 179.678 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.413 ' ND2' ' OG ' ' A' ' 121' ' ' SER . 5.5 t-20 -68.82 -37.2 79.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.004 -179.967 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.642 HD23 ' O ' ' A' ' 118' ' ' LEU . 4.1 tt -65.6 -35.98 82.41 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.649 -179.247 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.572 HG21 HG23 ' A' ' 89' ' ' ILE . 72.9 mt -88.39 -41.4 14.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 -177.864 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -72.29 -34.58 68.27 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 -178.243 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.413 ' OG ' ' ND2' ' A' ' 117' ' ' ASN . 17.8 m -83.87 40.45 0.75 Allowed 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 114.913 1.449 . . . . 0.0 114.913 -176.326 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.502 ' HB ' ' NZ ' ' A' ' 96' ' ' LYS . 13.9 t -138.21 -32.9 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.355 177.868 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 1.1 mtm180 -128.88 48.98 2.27 Favored 'General case' 0 C--O 1.23 0.078 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 177.528 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -171.71 38.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.82 -179.369 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 8.5 mtm180 -98.83 37.76 1.47 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.391 -179.794 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.435 ' O ' ' HE2' ' A' ' 127' ' ' LYS . 15.0 ttm180 -84.55 48.79 1.57 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.681 179.572 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.435 ' HE2' ' O ' ' A' ' 126' ' ' ARG . 0.2 OUTLIER -110.22 -18.48 13.29 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.223 179.567 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 14.8 mtt85 -115.03 165.4 12.94 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 178.161 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.43 -47.26 0.25 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.806 0.336 . . . . 0.0 111.436 -179.866 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 134.54 153.54 6.92 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.155 -179.454 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 89.8 p . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.184 -0.912 . . . . 0.0 110.822 -179.993 . . . . . . . . 0 0 . 1 . 043 nuclear nobuild full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 044 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 121.434 0.635 . . . . 0.0 112.075 . . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -167.25 33.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.167 -0.924 . . . . 0.0 109.405 178.623 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -166.47 33.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 114.882 -1.053 . . . . 0.0 109.769 179.729 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -178.2 48.74 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.378 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.646 -179.74 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -92.77 -174.95 3.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.813 0.339 . . . . 0.0 111.054 -179.52 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.08 140.86 49.15 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 121.401 0.62 . . . . 0.0 112.043 179.98 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 43.5 t -43.6 144.25 0.83 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 114.891 -1.049 . . . . 0.0 111.481 -179.81 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 31.2 p -105.78 24.99 11.4 Favored 'General case' 0 CA--C 1.528 0.126 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.439 -179.681 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 90.9 mt -113.07 149.04 34.02 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 178.445 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.471 ' HG2' ' HD3' ' A' ' 75' ' ' ARG . 17.1 mtp180 -113.79 142.36 46.17 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.908 0.385 . . . . 0.0 111.143 -179.527 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -121.64 99.39 6.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.868 178.912 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 65.15 29.98 11.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.586 -179.169 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 102.77 -22.43 37.18 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.802 -0.713 . . . . 0.0 113.382 179.232 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -88.6 126.59 35.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.277 0.561 . . . . 0.0 111.902 -179.468 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.471 ' HD3' ' HG2' ' A' ' 70' ' ' ARG . 7.0 tpp85 -69.12 63.18 0.13 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.105 -0.952 . . . . 0.0 112.175 -178.861 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 12.2 t 48.05 -86.38 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 178.463 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 114.44 -5.85 23.02 Favored Glycine 0 CA--C 1.522 0.497 0 C-N-CA 120.37 -0.919 . . . . 0.0 113.017 -179.262 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 56.6 ttt180 -104.7 143.17 33.46 Favored 'General case' 0 C--N 1.334 -0.105 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 179.214 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.02 162.76 5.33 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.005 0.431 . . . . 0.0 111.735 -178.734 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -78.71 165.12 23.98 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.821 -179.59 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -118.82 -135.59 5.21 Favored Glycine 0 C--N 1.334 0.462 0 C-N-CA 120.809 -0.71 . . . . 0.0 113.783 -179.139 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -111.21 -16.12 13.5 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 112.235 0.458 . . . . 0.0 112.235 -178.39 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.09 -161.86 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.839 0.352 . . . . 0.0 111.315 -179.701 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 32.4 p -162.97 150.79 13.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 179.731 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -76.85 140.63 40.68 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.247 -0.433 . . . . 0.0 109.848 178.906 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 90.8 p -145.02 -170.18 3.36 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.085 0.469 . . . . 0.0 111.328 -179.302 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.05 -40.42 38.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.052 178.46 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -53.27 -47.43 69.14 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 121.049 0.452 . . . . 0.0 110.323 179.561 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.989 HG23 HG21 ' A' ' 119' ' ' ILE . 49.7 mt -64.13 -36.26 76.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.289 179.426 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -62.12 -47.52 84.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.069 0.461 . . . . 0.0 109.915 179.216 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.9 tmtm? -61.67 -49.62 75.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.867 179.243 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 16.7 m -52.18 -43.6 64.24 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.211 179.117 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.427 HG23 ' CG2' ' A' ' 98' ' ' VAL . 97.2 mt -61.76 -52.1 64.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.141 -0.482 . . . . 0.0 109.962 178.8 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 40.1 m -49.63 -47.1 49.99 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.119 -179.845 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 41.9 tp60 -62.29 -47.7 83.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.993 0.425 . . . . 0.0 109.981 179.57 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.641 ' HE3' HG21 ' A' ' 122' ' ' VAL . 44.7 mttp -60.5 -42.27 96.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.067 178.755 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 2.2 mmtm 70.83 80.58 0.16 Allowed 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.451 -178.592 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.427 ' CG2' HG23 ' A' ' 93' ' ' ILE . 19.0 m -134.39 162.2 39.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.385 -178.965 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 9.9 mttm -81.28 57.78 3.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.303 -179.755 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 63.4 mt -134.87 105.49 6.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.541 179.511 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -127.77 158.27 38.13 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.243 179.849 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.466 HD23 ' NZ ' ' A' ' 104' ' ' LYS . 0.6 OUTLIER -84.43 131.8 34.63 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.292 0.568 . . . . 0.0 112.093 -179.497 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -77.98 143.66 37.39 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 177.839 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.466 ' NZ ' HD23 ' A' ' 102' ' ' LEU . 0.8 OUTLIER -95.46 -12.83 25.22 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.826 -0.35 . . . . 0.0 111.475 -179.721 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.2 p -87.63 2.89 49.72 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 120.539 0.209 . . . . 0.0 111.321 179.61 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -68.17 -138.54 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 116.701 -0.227 . . . . 0.0 111.021 -179.666 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -161.27 -67.39 0.06 Allowed 'General case' 0 N--CA 1.455 -0.218 0 CA-C-O 121.114 0.483 . . . . 0.0 110.763 179.991 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 17.0 p80 -86.54 176.75 7.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.551 -179.371 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 72.4 mt -124.93 66.34 1.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.002 179.149 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -136.32 128.75 30.3 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.265 -179.71 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 18.3 pt -105.62 -176.75 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.892 179.905 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 20.8 p -98.22 158.33 15.63 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.43 179.604 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.16 -32.82 66.79 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.005 0.431 . . . . 0.0 110.572 179.7 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -57.48 -62.18 1.96 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.642 -179.502 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 19.3 m170 -65.24 -36.6 84.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.579 -179.219 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 9.2 ttpp -58.37 -54.63 44.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.982 0.42 . . . . 0.0 110.782 -179.904 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.424 ' O ' ' HB2' ' A' ' 121' ' ' SER . 14.4 t-20 -67.12 -34.76 78.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.552 -179.665 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.685 HD23 ' O ' ' A' ' 118' ' ' LEU . 4.2 tt -64.2 -42.28 96.71 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.846 -179.246 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.989 HG21 HG23 ' A' ' 89' ' ' ILE . 77.2 mt -84.47 -36.89 12.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 -177.878 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -72.34 -33.65 67.45 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 -178.236 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.424 ' HB2' ' O ' ' A' ' 117' ' ' ASN . 0.5 OUTLIER -73.99 -16.53 61.07 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 -176.895 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.641 HG21 ' HE3' ' A' ' 96' ' ' LYS . 73.4 t -76.87 -20.81 14.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 C-N-CA 120.289 -0.565 . . . . 0.0 110.705 179.467 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.434 ' CZ ' ' HA ' ' A' ' 123' ' ' ARG . 0.4 OUTLIER -94.38 28.01 2.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.098 0.475 . . . . 0.0 110.098 178.511 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -160.01 25.28 0.17 Allowed 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.155 -179.989 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -86.57 72.65 10.21 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.339 -178.881 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 16.3 mtp85 -136.25 117.15 14.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.819 179.473 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 8.3 mmtt -127.92 -13.52 5.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.477 178.573 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.78 87.82 4.42 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 178.849 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 1.6 mtmp? -91.49 -75.2 0.48 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.222 -178.961 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -134.95 -121.4 2.13 Favored Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.84 -0.695 . . . . 0.0 111.567 -179.849 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.1 p . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.321 -0.847 . . . . 0.0 110.678 179.577 . . . . . . . . 0 0 . 1 . 044 nuclear nobuild full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 045 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 77.7 p . . . . . 0 N--CA 1.48 1.038 0 CA-C-O 121.549 0.69 . . . . 0.0 112.005 . . . . . . . . . 0 0 . 1 . 045 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 53.7 35.86 22.3 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.977 -1.01 . . . . 0.0 112.593 177.495 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -139.05 7.04 2.42 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.023 177.889 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -119.07 35.88 3.76 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.073 -179.671 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -69.4 168.07 15.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.837 0.351 . . . . 0.0 110.512 179.732 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.62 169.63 8.68 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.07 0.462 . . . . 0.0 111.699 -179.975 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 15.8 t -70.44 130.04 40.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.947 -179.857 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 26.6 p -90.25 39.0 0.95 Allowed 'General case' 0 N--CA 1.462 0.137 0 N-CA-C 112.13 0.419 . . . . 0.0 112.13 -179.326 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 76.0 mt -126.28 162.43 25.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.784 0.326 . . . . 0.0 110.447 177.812 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.462 ' HG2' ' HD3' ' A' ' 75' ' ' ARG . 19.3 mtp-105 -134.68 105.46 6.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.828 179.869 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -93.56 118.55 31.5 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 179.064 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 54.73 29.35 11.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.363 -178.934 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 88.26 -7.99 79.91 Favored Glycine 0 C--N 1.332 0.356 0 CA-C-N 115.736 -0.666 . . . . 0.0 113.344 179.415 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -87.92 126.84 35.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 117.186 0.493 . . . . 0.0 110.515 179.424 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.551 ' O ' ' N ' ' A' ' 77' ' ' GLY . 0.0 OUTLIER -74.27 57.35 0.67 Allowed 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.506 -179.009 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t 47.23 -71.47 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 113.607 0.965 . . . . 0.0 113.607 179.774 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.551 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 99.89 -9.52 60.07 Favored Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 111.39 -0.684 . . . . 0.0 111.39 -178.494 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 57.3 ttt-85 -100.46 143.01 31.15 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 179.21 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.53 166.43 6.74 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.019 0.438 . . . . 0.0 111.891 -178.714 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.27 151.19 36.85 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.399 -179.489 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -104.75 -125.75 5.65 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.7 -0.762 . . . . 0.0 113.753 -179.038 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -117.9 -29.3 5.7 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 111.968 0.358 . . . . 0.0 111.968 -178.122 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.3 159.58 32.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.037 0.446 . . . . 0.0 111.826 -179.279 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -126.27 143.76 51.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.679 179.856 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -64.45 135.01 55.65 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 178.955 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -137.18 -167.27 2.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.142 0.496 . . . . 0.0 111.857 -178.87 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.428 ' O ' ' HB3' ' A' ' 90' ' ' GLN . 2.5 mmtm -77.38 -43.88 31.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.277 178.94 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.4 ttm180 -52.69 -55.77 20.24 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.443 -0.798 . . . . 0.0 110.33 179.392 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.616 HG23 HG21 ' A' ' 119' ' ' ILE . 83.5 mt -51.94 -35.91 19.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.66 179.785 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.428 ' HB3' ' O ' ' A' ' 87' ' ' LYS . 0.5 OUTLIER -65.33 -46.56 79.81 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 178.972 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.71 -39.38 80.62 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.678 179.235 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 54.9 m -63.85 -45.39 89.7 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.797 178.907 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 86.5 mt -62.65 -30.19 48.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.015 178.883 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 33.9 m -73.76 -33.19 64.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.038 -179.975 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -81.01 -26.98 36.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.889 0.376 . . . . 0.0 110.312 179.451 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 97' ' ' LYS . 10.1 mttm -78.59 -42.73 28.29 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.399 178.938 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 96' ' ' LYS . 3.6 mmmt 67.9 67.68 0.35 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.655 -178.266 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 28.6 m -122.67 174.84 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.97 -179.521 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 32.7 mttp -89.44 41.47 1.04 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.395 -179.632 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 75.6 mt -108.66 116.86 52.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.836 0.351 . . . . 0.0 110.18 179.212 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -141.16 157.76 44.84 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.637 -179.935 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.476 ' HG ' ' N ' ' A' ' 103' ' ' ASP . 0.6 OUTLIER -86.15 146.39 26.6 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.225 0.536 . . . . 0.0 111.845 -179.308 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.476 ' N ' ' HG ' ' A' ' 102' ' ' LEU . 66.7 t0 -95.09 138.8 32.32 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 177.676 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 20.3 mmtm -96.89 13.24 29.45 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -179.102 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.8 p -95.36 -24.63 16.63 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.779 0.323 . . . . 0.0 111.18 -179.749 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -65.74 174.48 2.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.168 0.508 . . . . 0.0 111.845 -179.333 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 45.3 mtm180 -121.03 -0.86 9.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.877 179.398 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . 0.424 ' HB2' ' CD2' ' A' ' 110' ' ' TYR . 7.8 p80 -136.28 159.44 41.73 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 121.046 0.45 . . . . 0.0 111.74 -178.762 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 14.7 mt -117.3 59.91 0.76 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.627 179.652 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.424 ' CD2' ' HB2' ' A' ' 108' ' ' HIS . 80.7 m-85 -124.45 122.96 39.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.946 179.465 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 29.6 pt -103.94 168.52 2.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.798 179.846 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 25.8 p -79.69 148.99 31.35 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.55 179.688 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -52.59 -32.85 43.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.132 0.491 . . . . 0.0 110.184 179.833 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -52.9 -55.83 20.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.207 179.972 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 10.7 m170 -68.04 -36.03 79.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.635 -179.435 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.405 ' O ' ' HB2' ' A' ' 120' ' ' GLN . 4.2 ttpp -58.99 -50.92 72.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.978 0.418 . . . . 0.0 110.293 179.522 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -67.02 -34.37 77.59 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.21 -179.519 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.512 HD23 ' O ' ' A' ' 118' ' ' LEU . 4.6 tt -68.71 -42.84 77.13 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.961 -179.175 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.616 HG21 HG23 ' A' ' 89' ' ' ILE . 60.1 mt -83.88 -36.79 12.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 -177.839 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.407 ' O ' ' HB3' ' A' ' 124' ' ' ASN . 1.1 mt-30 -73.14 -38.12 66.37 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 -178.565 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.442 ' HA ' ' O ' ' A' ' 124' ' ' ASN . 47.4 m -79.86 10.21 4.43 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 114.859 1.429 . . . . 0.0 114.859 -175.908 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 118' ' ' LEU . 96.2 t -93.99 -39.67 10.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 C-N-CA 120.411 -0.515 . . . . 0.0 110.102 178.734 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -107.76 21.39 17.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.491 178.217 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . 0.442 ' O ' ' HA ' ' A' ' 121' ' ' SER . 3.2 t30 -162.31 113.07 1.56 Allowed 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.304 -179.562 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 44.5 mtp180 -120.65 142.12 49.74 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.197 0.522 . . . . 0.0 112.122 -179.195 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.414 ' O ' ' HB2' ' A' ' 127' ' ' LYS . 1.6 ttt-85 -122.03 23.81 9.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.739 178.135 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.414 ' HB2' ' O ' ' A' ' 126' ' ' ARG . 0.0 OUTLIER 73.4 119.82 0.04 OUTLIER 'General case' 0 N--CA 1.457 -0.121 0 N-CA-C 112.994 0.739 . . . . 0.0 112.994 179.126 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.414 ' O ' ' HG2' ' A' ' 128' ' ' ARG . 30.1 ttm-85 -92.3 -14.57 28.62 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 176.586 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 2.5 ttpp 71.06 -95.83 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.161 179.385 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -171.3 55.98 0.18 Allowed Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.347 -0.93 . . . . 0.0 112.395 -179.704 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.657 179.472 . . . . . . . . 0 0 . 1 . 045 nuclear nobuild full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 046 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.479 1.005 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 . . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -65.24 86.69 0.07 Allowed 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 121.43 0.633 . . . . 0.0 112.219 -177.732 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -163.24 22.74 0.08 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.025 -0.989 . . . . 0.0 110.615 178.36 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -104.58 35.72 4.87 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.069 -179.37 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -107.43 147.18 30.75 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.713 0.292 . . . . 0.0 110.589 -179.92 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 55.9 mt -97.28 148.29 23.27 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.468 179.535 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 41.6 t -48.93 151.82 1.17 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.748 179.686 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 11.0 p -110.55 32.88 4.87 Favored 'General case' 0 N--CA 1.462 0.153 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -179.252 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 96.9 mt -111.72 157.07 20.94 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 110.197 -0.297 . . . . 0.0 110.197 177.938 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.469 ' HG2' ' HD2' ' A' ' 75' ' ' ARG . 14.4 mtp180 -122.67 114.09 20.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.517 -179.647 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -101.7 106.03 17.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.038 178.96 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 57.21 43.7 23.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.716 -179.396 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 84.65 -11.41 59.28 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.956 -0.64 . . . . 0.0 113.302 179.518 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.4 ' O ' ' HA ' ' A' ' 70' ' ' ARG . 2.9 mm-40 -88.51 130.23 35.27 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.982 0.391 . . . . 0.0 111.279 -179.378 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.469 ' HD2' ' HG2' ' A' ' 70' ' ' ARG . 35.2 mmm-85 -81.56 62.09 5.27 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.875 -178.954 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 16.3 t 40.29 -86.7 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 179.073 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . 108.03 -10.95 37.45 Favored Glycine 0 C--N 1.334 0.448 0 C-N-CA 120.516 -0.849 . . . . 0.0 112.848 -179.602 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 42.2 ttt180 -91.74 153.86 19.34 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.783 0.325 . . . . 0.0 110.436 179.86 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.22 139.82 54.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.848 -179.311 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.79 149.84 29.92 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.046 179.006 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -107.39 -130.45 6.38 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.361 -0.923 . . . . 0.0 114.059 -178.615 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -115.76 -3.55 12.23 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 -178.169 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.455 ' HB2' ' HD2' ' A' ' 116' ' ' LYS . . . -86.74 -174.8 5.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.943 0.402 . . . . 0.0 111.646 -179.151 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.5 m -140.19 178.83 7.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.07 179.612 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -112.04 89.9 3.19 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.751 -0.462 . . . . 0.0 109.751 178.971 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 79.9 p -87.51 -171.41 3.44 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.503 -178.866 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.4 mmtm -78.08 -38.26 44.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.968 179.05 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -53.85 -46.32 71.19 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.68 HG23 HG21 ' A' ' 119' ' ' ILE . 63.1 mt -62.4 -37.64 79.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.34 179.42 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.91 -52.06 65.6 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.384 0.612 . . . . 0.0 109.437 178.591 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.75 -38.32 75.15 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.043 -0.98 . . . . 0.0 109.746 179.199 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.7 t -60.6 -51.52 69.06 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.298 179.053 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 98.6 mt -56.37 -47.82 80.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.368 179.225 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 49.2 m -55.79 -42.96 76.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.158 -179.784 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -69.69 -31.47 69.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.886 0.374 . . . . 0.0 110.217 179.876 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.561 ' HE2' HG11 ' A' ' 122' ' ' VAL . 7.5 mtpm? -72.79 -39.42 66.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.237 0.541 . . . . 0.0 109.582 178.321 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 20.8 mttp 67.34 67.19 0.39 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.446 -178.692 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 23.7 m -126.15 -175.96 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.372 -179.057 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 8.0 mmtm -100.28 68.51 1.42 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.251 -179.822 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 61.3 mt -141.89 100.18 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.85 0.357 . . . . 0.0 110.807 179.518 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -126.82 152.44 46.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.263 179.497 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 12.1 tp -71.46 138.44 49.01 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.334 0.588 . . . . 0.0 111.802 -179.488 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -71.17 107.67 4.31 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.268 177.972 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 9.1 mmtp -64.37 -15.66 60.86 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 111.665 0.246 . . . . 0.0 111.665 -179.414 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 10.7 p -100.24 22.36 11.6 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.608 0.242 . . . . 0.0 111.106 -179.922 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -78.32 -178.5 5.75 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-O 121.256 0.551 . . . . 0.0 111.675 -179.774 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.23 -35.01 5.14 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.108 -179.817 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 28.6 p80 -145.18 -162.58 1.53 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.054 -178.695 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 57.3 mt -120.26 -126.58 0.27 Allowed 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 178.629 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.44 ' HA ' ' O ' ' A' ' 83' ' ' ALA . 91.5 m-85 57.04 84.62 0.09 Allowed 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 118.344 0.52 . . . . 0.0 111.525 179.356 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 31.6 pt -78.45 173.38 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.4 179.42 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 22.0 p -84.12 157.25 21.78 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.621 179.831 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.77 -32.22 69.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.129 0.49 . . . . 0.0 110.155 179.591 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -52.66 -58.18 7.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.343 179.991 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 11.9 m80 -68.46 -34.28 75.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.602 -179.567 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.455 ' HD2' ' HB2' ' A' ' 83' ' ' ALA . 1.1 ttpm? -58.55 -48.66 80.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.114 0.483 . . . . 0.0 110.598 179.832 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -71.63 -41.08 69.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.13 -179.628 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.636 HD23 ' O ' ' A' ' 118' ' ' LEU . 3.4 tt -62.65 -33.5 75.17 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.828 -179.058 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.68 HG21 HG23 ' A' ' 89' ' ' ILE . 63.7 mt -94.63 -35.75 6.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 -177.741 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.433 ' NE2' ' HE2' ' A' ' 116' ' ' LYS . 10.7 mt-30 -68.71 -46.53 68.7 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 -178.269 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 2.2 m -80.29 26.99 0.35 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 114.898 1.444 . . . . 0.0 114.898 -175.088 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.561 HG11 ' HE2' ' A' ' 96' ' ' LYS . 62.9 t -120.63 95.74 3.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.008 0.432 . . . . 0.0 109.957 177.952 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 73.7 mtt180 51.28 51.53 16.72 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.326 -178.827 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -156.23 24.14 0.36 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.687 179.809 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 28.5 ttm-85 -112.51 -72.59 0.7 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.26 -179.35 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.7 ttm180 -125.56 178.26 5.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.264 -179.974 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 58.3 mttm -131.61 -122.26 0.2 Allowed 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 178.644 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -152.39 54.51 0.8 Allowed 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 179.139 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 10.3 mtpp -138.15 36.59 2.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.335 179.799 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -158.99 104.49 0.25 Allowed Glycine 0 N--CA 1.45 -0.401 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.957 179.83 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 25.0 p . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.593 -0.717 . . . . 0.0 110.808 -179.518 . . . . . . . . 0 0 . 1 . 046 nuclear nobuild full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 047 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.2 m . . . . . 0 N--CA 1.481 1.115 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 . . . . . . . . . 0 0 . 1 . 047 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -90.07 20.44 4.28 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 177.203 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -128.0 13.21 6.76 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.487 177.766 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -95.35 42.31 2.36 Favored Glycine 0 C--N 1.34 0.804 0 C-N-CA 121.056 -0.593 . . . . 0.0 111.899 179.941 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -87.33 -163.9 1.0 Allowed 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 179.794 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 79' ' ' ALA . 0.8 OUTLIER -124.36 155.31 38.99 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-O 121.211 0.529 . . . . 0.0 111.944 179.486 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 46.7 t -49.4 158.43 0.41 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.356 -179.586 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 18.9 m -127.95 32.63 4.9 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 121.019 0.437 . . . . 0.0 111.379 -179.971 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 68.9 mt -117.63 158.11 25.22 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 178.851 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 50.0 mtt-85 -123.16 122.5 38.58 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.328 -179.445 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 74' ' ' GLU . 10.1 tt0 -92.47 120.44 32.96 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.017 178.986 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 50.51 40.2 22.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.038 0.447 . . . . 0.0 110.611 -179.453 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 78.7 -1.01 74.87 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.955 179.895 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' A' ' 71' ' ' GLU . 1.3 mm-40 -109.19 142.73 39.58 Favored 'General case' 0 C--N 1.334 -0.08 0 CA-C-O 121.11 0.481 . . . . 0.0 111.637 -179.77 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.6 mmm-85 -62.15 152.86 31.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.53 -0.759 . . . . 0.0 112.503 -179.036 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.7 t -69.29 -150.87 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.961 179.199 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -177.73 43.64 0.09 OUTLIER Glycine 0 C--N 1.335 0.518 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.593 179.889 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 17.9 ttt85 -152.02 150.45 29.98 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 178.962 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.406 ' HA ' HD12 ' A' ' 66' ' ' LEU . . . -65.58 161.38 20.44 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.002 0.43 . . . . 0.0 111.728 -178.623 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -83.24 157.68 22.58 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.781 -179.523 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -122.75 -162.6 11.58 Favored Glycine 0 C--N 1.335 0.519 0 C-N-CA 120.756 -0.735 . . . . 0.0 113.423 -179.388 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -73.5 -15.2 61.32 Favored 'General case' 0 N--CA 1.462 0.173 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -178.916 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -74.57 145.56 43.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.944 0.402 . . . . 0.0 111.417 -179.763 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 50.3 m -123.64 140.92 52.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.69 179.73 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -61.46 114.34 3.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.11 -0.496 . . . . 0.0 109.992 179.271 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 79.8 p -119.53 -162.22 0.91 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.994 -179.206 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.3 mmtp -81.11 -44.74 17.5 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.699 178.751 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? -52.5 -39.48 61.32 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.322 -179.327 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 78.5 mt -68.26 -35.58 71.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.825 0.345 . . . . 0.0 110.254 179.435 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.96 -44.9 83.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.552 0.691 . . . . 0.0 109.192 178.409 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 19.2 mmtt -59.93 -50.75 72.55 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 114.821 -1.081 . . . . 0.0 110.392 179.101 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 51.7 p -56.8 -41.76 78.31 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.46 179.357 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.4 ' HA ' ' HD3' ' A' ' 96' ' ' LYS . 85.0 mt -62.88 -40.21 87.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 178.722 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.421 ' O ' ' HG2' ' A' ' 97' ' ' LYS . 12.8 t -65.45 -34.36 78.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.375 -179.907 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -73.9 -35.73 64.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.005 0.431 . . . . 0.0 110.189 179.868 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.443 ' HE2' HG21 ' A' ' 122' ' ' VAL . 3.3 mtpm? -75.51 -37.81 59.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.82 178.66 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.421 ' HG2' ' O ' ' A' ' 94' ' ' SER . 6.6 mtmm 66.23 74.75 0.35 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.764 -178.671 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 17.0 m -127.06 -178.9 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.147 -179.321 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 12.2 mttm -102.07 71.61 1.27 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.454 -179.719 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 54.9 mt -137.81 109.9 6.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.194 179.093 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.62 174.37 7.48 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.719 -179.835 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.2 tp -92.01 131.38 37.34 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.811 -179.29 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.4 ' OD1' ' N ' ' A' ' 105' ' ' SER . 15.6 t0 -67.05 125.51 26.22 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 178.356 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 33.7 mtmm -76.43 -30.66 57.49 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -178.724 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.4 ' N ' ' OD1' ' A' ' 103' ' ' ASP . 0.4 OUTLIER -68.09 -21.16 64.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.632 0.253 . . . . 0.0 110.975 -179.957 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -48.12 172.01 0.01 OUTLIER 'General case' 0 CA--C 1.521 -0.172 0 CA-C-O 121.292 0.568 . . . . 0.0 111.787 -179.31 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.14 -36.33 2.53 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.862 -179.267 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 10.7 p80 -112.77 -170.41 1.66 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.355 -179.21 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 46.5 mt -136.2 80.75 1.84 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.607 178.642 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -149.02 104.95 3.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.9 -178.736 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 21.1 pt -79.91 -175.98 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.991 -179.997 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 19.6 p -101.97 169.4 8.79 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.473 179.464 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -69.1 -30.47 68.78 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.115 0.483 . . . . 0.0 110.152 179.678 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.408 ' O ' ' HB2' ' A' ' 118' ' ' LEU . 90.2 t80 -55.87 -61.16 2.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.204 179.973 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 13.7 m170 -68.28 -37.4 80.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.708 -179.4 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 7.9 ttpp -54.63 -52.67 61.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.959 0.409 . . . . 0.0 110.47 179.846 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 20.0 t30 -70.8 -35.62 72.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.317 -179.551 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.602 HD23 ' O ' ' A' ' 118' ' ' LEU . 4.5 tt -63.72 -37.34 86.98 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.636 -179.366 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 54.9 mt -91.15 -48.42 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 -178.28 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -59.21 -33.56 71.12 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 -178.344 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.405 ' HA ' ' O ' ' A' ' 124' ' ' ASN . 83.3 p -89.36 10.21 23.3 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 114.503 1.297 . . . . 0.0 114.503 -176.241 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.443 HG21 ' HE2' ' A' ' 96' ' ' LYS . 67.7 t -90.54 -24.78 5.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 C-N-CA 120.318 -0.553 . . . . 0.0 110.264 178.702 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 24.8 mtp180 -104.14 -10.07 18.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.402 178.333 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . 0.405 ' O ' ' HA ' ' A' ' 121' ' ' SER . 44.8 t-20 -153.61 107.15 2.98 Favored 'General case' 0 CA--C 1.528 0.115 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 179.558 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.15 171.61 14.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.42 0.628 . . . . 0.0 112.591 -178.541 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.405 ' O ' ' HG2' ' A' ' 127' ' ' LYS . 48.4 mtp180 -138.91 -155.38 0.59 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.077 -0.965 . . . . 0.0 109.289 179.119 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.405 ' HG2' ' O ' ' A' ' 126' ' ' ARG . 8.1 mtmt -147.11 104.25 3.66 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 121.096 0.474 . . . . 0.0 111.872 179.494 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 19.1 mtm-85 -134.63 -36.62 0.86 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.478 178.253 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 37.5 mttm 57.75 31.3 20.26 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-O 120.88 0.371 . . . . 0.0 110.444 179.171 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -117.52 -14.56 6.84 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.999 -0.619 . . . . 0.0 112.427 179.833 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.0 p . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.41 -0.805 . . . . 0.0 110.86 179.725 . . . . . . . . 0 0 . 1 . 047 nuclear nobuild full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_