data_6mi9_residue ############################ # Computer software used # ############################ 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 6mi9 _Structure_validation_residue.Date_analyzed 2019-09-20 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.218 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 21.1 mtp180 -53.01 -41.22 64.47 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.214 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -77.49 -39.21 47.15 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -60.09 -49.02 79.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.867 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.5 pt -65.51 -42.17 92.56 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.016 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.51 -46.51 75.98 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 179.292 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.562 ' O ' ' HD2' ' A' ' 13' ' ' ARG . . . -53.57 -35.36 51.52 Favored Glycine 0 C--O 1.227 -0.306 0 N-CA-C 110.036 -1.225 . . . . 0.0 110.036 179.19 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.432 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -59.52 -36.77 76.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.272 0.558 . . . . 0.0 110.26 178.789 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 6.8 mm -73.66 -26.77 22.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.919 -178.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -56.74 -48.25 78.2 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.687 -0.405 . . . . 0.0 112.078 -177.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.562 ' HD2' ' O ' ' A' ' 9' ' ' GLY . 0.0 OUTLIER -57.23 -40.44 77.55 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 119.85 -0.74 . . . . 0.0 109.362 179.864 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? -61.78 -45.93 91.74 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 179.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.6 mm -65.91 -47.73 84.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.463 179.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.8 -44.5 86.35 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.73 -37.63 85.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.725 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.55 -44.5 70.79 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.021 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.3 mttm . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.579 179.814 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.2 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 22.6 mtp180 -53.44 -46.1 69.71 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.502 HD21 ' C ' ' A' ' 5' ' ' ASN . 0.3 OUTLIER -55.14 -44.33 75.0 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 178.401 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.98 -41.54 97.49 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 179.142 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.1 mm -65.92 -36.2 76.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 179.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.402 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 0.1 OUTLIER -55.53 -47.31 76.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.791 179.686 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -52.96 -39.28 56.57 Favored Glycine 0 CA--C 1.52 0.364 0 N-CA-C 109.778 -1.329 . . . . 0.0 109.778 179.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.95 -38.91 76.29 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.356 0.598 . . . . 0.0 109.617 178.576 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.402 ' HA ' ' CG ' ' A' ' 14' ' ' LYS . 5.4 mm -68.15 -27.96 39.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.083 -179.352 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 8' ' ' LEU . 36.2 mt -56.48 -44.26 80.43 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.079 -0.648 . . . . 0.0 110.415 -179.239 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.7 mmm180 -61.26 -26.59 67.87 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.625 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.402 ' CG ' ' HA ' ' A' ' 11' ' ' ILE . 8.0 mmpt? -70.97 -46.97 61.42 Favored 'General case' 0 CA--C 1.513 -0.466 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 179.401 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.495 HG13 ' N ' ' A' ' 16' ' ' ALA . 0.5 OUTLIER -66.35 -36.53 77.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 179.633 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.495 ' N ' HG13 ' A' ' 15' ' ' ILE . . . -64.09 -48.58 75.6 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.541 179.084 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.63 -29.68 69.06 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-O 121.397 0.617 . . . . 0.0 109.366 178.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -71.92 -33.81 68.58 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.538 179.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.17 179.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.247 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.0 mtp180 -73.08 -47.12 47.23 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.156 -0.474 . . . . 0.0 109.747 178.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -48.99 -46.24 43.5 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.523 179.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.9 tptm -68.58 -47.07 67.74 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.721 179.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.4 mm -59.44 -47.89 89.12 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 C-N-CA 120.543 -0.463 . . . . 0.0 110.345 -179.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.42 HD11 ' C ' ' A' ' 8' ' ' LEU . 1.2 pp -69.41 -37.48 77.5 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 178.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.405 ' N ' ' HG ' ' A' ' 8' ' ' LEU . . . -56.26 -40.69 85.32 Favored Glycine 0 CA--C 1.52 0.396 0 N-CA-C 109.679 -1.368 . . . . 0.0 109.679 178.66 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.0 ttmm -60.31 -37.71 81.4 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 178.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.436 HG22 HD11 ' A' ' 11' ' ' ILE . 8.9 mm -64.22 -35.11 72.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.039 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 42.9 mt -57.74 -40.87 80.68 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.193 0.521 . . . . 0.0 110.117 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.6 mmm180 -58.0 -32.66 68.13 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.302 179.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.426 ' H ' ' HG2' ' A' ' 14' ' ' LYS . 4.1 mmpt? -73.07 -46.06 53.73 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 178.363 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.431 ' O ' ' N ' ' A' ' 19' ' ' LYS . 9.4 mm -63.3 -41.78 94.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.559 179.216 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.36 -38.01 73.5 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 179.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.59 -45.29 25.67 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.173 179.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -68.47 -47.62 66.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.702 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 15' ' ' ILE . 1.2 tptm . . . . . 0 C--N 1.324 -0.502 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.248 0 N-CA-C 110.21 -0.292 . . . . 0.0 110.21 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 51.2 mtp180 -72.53 -46.28 55.3 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.411 -0.515 . . . . 0.0 109.688 179.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.459 ' HA ' ' CD2' ' A' ' 8' ' ' LEU . 20.6 t-20 -49.62 -41.96 43.68 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 178.766 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.97 -45.57 77.3 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.936 179.269 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 15.8 mm -68.45 -46.4 80.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.244 -179.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.459 ' CD2' ' HA ' ' A' ' 5' ' ' ASN . 4.5 pp -62.68 -35.22 78.97 Favored 'General case' 0 CA--C 1.518 -0.272 0 C-N-CA 119.31 -0.956 . . . . 0.0 109.116 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.542 ' O ' ' NH2' ' A' ' 13' ' ' ARG . . . -56.88 -45.96 91.13 Favored Glycine 0 C--N 1.331 0.287 0 N-CA-C 109.341 -1.503 . . . . 0.0 109.341 178.27 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.539 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 2.0 tmtm? -69.9 -36.33 75.32 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.067 0.461 . . . . 0.0 109.803 178.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.7 mm -74.57 -25.84 19.53 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.748 -179.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 8' ' ' LEU . 11.4 mt -54.9 -37.92 66.93 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -177.639 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.543 ' H ' ' CD ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -57.56 -33.49 68.2 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.186 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.4 mmpt? -63.35 -42.34 98.91 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 178.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.488 HD13 HG21 ' A' ' 15' ' ' ILE . 38.2 mm -64.39 -43.64 97.06 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 178.609 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.89 -47.36 83.02 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 108.601 -0.888 . . . . 0.0 108.601 178.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.17 -41.32 92.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.13 178.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -66.72 -41.77 87.38 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.652 -0.703 . . . . 0.0 109.868 179.388 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.5 mtpm? . . . . . 0 C--N 1.33 -0.276 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 179.435 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 -0.302 0 CA-C-O 120.493 0.187 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 69.7 mtm180 -52.27 -47.83 65.6 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 119.984 -0.686 . . . . 0.0 109.904 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.469 ' HA ' ' CD2' ' A' ' 8' ' ' LEU . 9.6 t-20 -52.01 -39.55 59.65 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.02 -47.67 67.79 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.954 179.051 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 11.9 mm -66.94 -46.56 84.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.295 -179.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.469 ' CD2' ' HA ' ' A' ' 5' ' ' ASN . 4.1 pp -66.99 -37.3 83.97 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.007 -0.677 . . . . 0.0 109.735 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -61.51 -47.73 88.93 Favored Glycine 0 CA--C 1.519 0.302 0 N-CA-C 109.428 -1.469 . . . . 0.0 109.428 178.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -60.13 -41.29 92.36 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 179.668 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.7 mm -78.5 -28.48 14.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.511 -179.169 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 8' ' ' LEU . 7.7 mt -56.68 -47.67 79.35 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.311 -0.556 . . . . 0.0 111.738 -177.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.51 -27.49 66.21 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.0 mmtt -73.34 -36.56 66.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.456 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.424 HD12 HG22 ' A' ' 15' ' ' ILE . 50.4 mm -53.99 -43.49 58.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.82 -41.63 82.61 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.859 179.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.74 -40.16 42.0 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.008 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.578 ' CE1' ' CG ' ' A' ' 19' ' ' LYS . 0.5 OUTLIER -65.06 -44.86 87.59 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.248 -179.408 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.578 ' CG ' ' CE1' ' A' ' 18' ' ' PHE . 25.6 mmtm . . . . . 0 C--O 1.235 0.307 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.216 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.481 ' NH1' ' OD1' ' A' ' 5' ' ' ASN . 1.3 ttp180 -51.7 -44.72 63.25 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 179.233 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.481 ' OD1' ' NH1' ' A' ' 4' ' ' ARG . 4.4 m120 -57.79 -43.44 85.62 Favored 'General case' 0 CA--C 1.519 -0.212 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 179.046 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.16 -40.5 82.33 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.009 178.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 16.4 mm -59.56 -48.19 88.22 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 C-N-CA 120.576 -0.449 . . . . 0.0 110.757 -179.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.0 pp -70.08 -39.83 75.36 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.065 -0.654 . . . . 0.0 109.757 179.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.78 -39.95 78.72 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.07 -39.17 86.78 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-O 120.953 0.406 . . . . 0.0 110.312 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 24.6 mm -58.93 -38.46 73.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.596 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 79.3 mt -58.38 -40.16 81.57 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.103 0.478 . . . . 0.0 111.035 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.467 ' HA ' ' NE ' ' A' ' 13' ' ' ARG . 1.6 mmm180 -57.88 -34.84 70.21 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.288 -179.701 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.2 mmpt? -59.01 -44.35 91.67 Favored 'General case' 0 CA--C 1.516 -0.363 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 179.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 25.6 mm -72.98 -48.61 43.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.165 -0.925 . . . . 0.0 109.344 178.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.41 -42.74 82.91 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.831 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.58 -40.16 92.43 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.897 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.83 -47.85 28.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.424 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.8 mtpm? . . . . . 0 C--N 1.331 -0.239 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.39 179.68 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.141 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.28 -41.18 92.82 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 179.169 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.406 HD21 ' C ' ' A' ' 5' ' ' ASN . 0.3 OUTLIER -65.36 -42.38 92.82 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.654 179.11 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.28 -48.06 81.67 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.613 -179.607 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 20.0 pt -68.27 -32.81 57.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.7 tp -61.05 -45.55 94.31 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 178.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.424 ' O ' ' HB2' ' A' ' 12' ' ' LEU . . . -51.67 -34.04 35.36 Favored Glycine 0 CA--C 1.521 0.421 0 N-CA-C 110.026 -1.229 . . . . 0.0 110.026 179.681 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.1 tmmm? -59.16 -35.9 74.35 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.103 0.477 . . . . 0.0 109.828 179.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.485 HD13 HG23 ' A' ' 11' ' ' ILE . 4.8 mm -71.77 -28.83 31.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.372 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.424 ' HB2' ' O ' ' A' ' 9' ' ' GLY . 3.9 mm? -58.17 -42.98 87.21 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-O 120.878 0.371 . . . . 0.0 110.8 -179.237 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.81 -38.64 72.86 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 -179.758 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.3 mmtt -73.05 -45.42 57.6 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 178.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.422 ' HB ' ' HA ' ' A' ' 12' ' ' LEU . 3.4 mm -57.62 -43.56 83.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.034 -0.984 . . . . 0.0 109.281 179.001 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.59 -47.53 79.37 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.289 -0.414 . . . . 0.0 109.927 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.26 -42.56 96.42 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 179.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -66.33 -47.75 72.48 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.9 179.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.5 tptm . . . . . 0 C--N 1.324 -0.514 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.089 179.81 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.516 -0.331 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.424 ' O ' ' N ' ' A' ' 8' ' ' LEU . 18.9 tpp85 -57.64 -43.59 85.0 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.485 -0.78 . . . . 0.0 108.929 178.65 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -49.68 -46.47 49.97 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 178.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.9 tmtm? -67.13 -47.98 69.45 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 179.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.442 HD11 HG21 ' A' ' 7' ' ' ILE . 22.2 mt -59.12 -39.0 77.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 179.54 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 4' ' ' ARG . 12.1 tp -56.65 -44.28 81.15 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.246 -0.649 . . . . 0.0 109.246 179.075 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -54.39 -35.22 55.59 Favored Glycine 0 N--CA 1.453 -0.216 0 N-CA-C 109.452 -1.459 . . . . 0.0 109.452 179.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.17 -38.13 79.03 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 179.186 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.417 HG21 HD11 ' A' ' 11' ' ' ILE . 28.9 mm -73.62 -32.98 37.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.246 179.561 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 39.3 mt -58.13 -42.73 86.46 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.411 -0.516 . . . . 0.0 110.373 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.406 ' HG2' ' H ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -58.08 -29.25 65.29 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 178.773 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.09 -44.3 63.47 Favored 'General case' 0 CA--C 1.518 -0.278 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 178.306 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.3 mm -55.21 -43.17 69.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 179.071 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.17 -47.16 84.25 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 178.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.02 -39.21 90.03 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.422 179.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.45 ' CD2' ' C ' ' A' ' 18' ' ' PHE . 0.2 OUTLIER -65.79 -46.42 78.74 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 178.944 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 48.3 mmtt . . . . . 0 C--N 1.326 -0.429 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.831 178.946 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 -0.112 0 N-CA-C 109.576 -0.528 . . . . 0.0 109.576 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 19.6 tpp180 -66.8 -46.01 76.56 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 178.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.4 ' HA ' ' CD2' ' A' ' 8' ' ' LEU . 41.8 t30 -50.53 -46.04 57.16 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.743 179.102 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.6 mmtp -66.94 -43.53 82.99 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.802 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 79.8 mt -71.04 -44.93 74.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.389 -178.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.466 ' CD1' ' C ' ' A' ' 8' ' ' LEU . 1.4 pp -59.78 -31.61 69.84 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 119.841 -0.744 . . . . 0.0 109.812 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -54.51 -37.91 61.74 Favored Glycine 0 CA--C 1.521 0.426 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 178.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.428 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -66.47 -37.98 86.32 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 178.53 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.422 ' HA ' ' CG ' ' A' ' 14' ' ' LYS . 15.1 mm -65.48 -28.66 44.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.468 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 89.3 mt -58.31 -47.28 84.2 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 120.052 -0.659 . . . . 0.0 110.04 -179.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.84 -29.79 67.19 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 178.735 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.428 ' HG2' ' O ' ' A' ' 10' ' ' LYS . 3.1 mmtt -71.22 -36.88 72.01 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.611 178.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.8 mm -54.99 -40.61 54.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 179.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.36 -39.0 91.7 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 178.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.35 -44.64 87.06 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 178.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.64 -48.41 72.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.003 179.357 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.8 mttm . . . . . 0 C--N 1.325 -0.463 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.488 -179.871 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.272 0 CA-C-O 120.782 0.325 . . . . 0.0 110.333 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.411 ' HA ' HG12 ' A' ' 7' ' ' ILE . 5.5 mtp85 -62.2 -46.46 88.79 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 179.109 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.1 -40.01 69.96 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.606 -0.724 . . . . 0.0 109.736 178.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.2 mmtm -67.6 -49.12 64.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.496 -179.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.411 HG12 ' HA ' ' A' ' 4' ' ' ARG . 13.4 pt -70.22 -45.1 76.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 120.597 -0.441 . . . . 0.0 111.836 -178.542 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.7 pp -59.87 -38.51 82.38 Favored 'General case' 0 C--O 1.232 0.172 0 C-N-CA 119.134 -1.027 . . . . 0.0 108.996 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -57.5 -44.75 93.63 Favored Glycine 0 C--N 1.33 0.244 0 N-CA-C 110.087 -1.205 . . . . 0.0 110.087 178.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -59.5 -37.9 79.49 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 178.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.418 ' O ' HG12 ' A' ' 15' ' ' ILE . 11.1 mm -75.05 -32.61 27.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.901 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 17.4 mt -56.97 -43.94 82.13 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -178.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.428 ' HB2' ' HE2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -56.79 -34.29 67.51 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.428 ' HE2' ' HB2' ' A' ' 13' ' ' ARG . 6.9 mmtt -72.85 -46.39 53.17 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 178.472 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.418 HG12 ' O ' ' A' ' 11' ' ' ILE . 28.5 mm -56.8 -43.8 80.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.387 179.03 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.58 -45.44 85.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.724 179.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.2 -42.57 68.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.807 179.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -64.38 -42.76 95.98 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.053 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.9 mtpm? . . . . . 0 C--N 1.323 -0.581 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.127 179.722 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo . . . . . 0 C--O 1.235 0.372 0 N-CA-C 108.878 -1.239 . . . . 0.0 108.878 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -58.39 -16.88 16.57 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.136 -179.338 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.91 -45.15 74.72 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 21.1 mtp180 -53.01 -41.22 64.47 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.214 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -77.49 -39.21 47.15 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -60.09 -49.02 79.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.867 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.5 pt -65.51 -42.17 92.56 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.016 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.51 -46.51 75.98 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 179.292 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.562 ' O ' ' HD2' ' A' ' 13' ' ' ARG . . . -53.57 -35.36 51.52 Favored Glycine 0 C--O 1.227 -0.306 0 N-CA-C 110.036 -1.225 . . . . 0.0 110.036 179.19 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.432 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -59.52 -36.77 76.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.272 0.558 . . . . 0.0 110.26 178.789 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 6.8 mm -73.66 -26.77 22.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.919 -178.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -56.74 -48.25 78.2 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.687 -0.405 . . . . 0.0 112.078 -177.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.562 ' HD2' ' O ' ' A' ' 9' ' ' GLY . 0.0 OUTLIER -57.23 -40.44 77.55 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 119.85 -0.74 . . . . 0.0 109.362 179.864 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? -61.78 -45.93 91.74 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 179.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.6 mm -65.91 -47.73 84.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.463 179.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.8 -44.5 86.35 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.73 -37.63 85.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.725 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.55 -44.5 70.79 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.021 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.3 mttm -79.79 -16.35 55.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.579 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.598 0 O-C-N 120.306 -1.496 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo . . . . . 0 N--CA 1.478 0.589 0 N-CA-C 108.751 -1.288 . . . . 0.0 108.751 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 54.6 mtp -55.4 -29.1 57.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.893 -179.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -68.92 -46.93 67.0 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.531 -0.467 . . . . 0.0 109.954 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 22.6 mtp180 -53.44 -46.1 69.71 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.502 HD21 ' C ' ' A' ' 5' ' ' ASN . 0.3 OUTLIER -55.14 -44.33 75.0 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 178.401 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.98 -41.54 97.49 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 179.142 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.1 mm -65.92 -36.2 76.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 179.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.402 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 0.1 OUTLIER -55.53 -47.31 76.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.791 179.686 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -52.96 -39.28 56.57 Favored Glycine 0 CA--C 1.52 0.364 0 N-CA-C 109.778 -1.329 . . . . 0.0 109.778 179.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.95 -38.91 76.29 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.356 0.598 . . . . 0.0 109.617 178.576 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.402 ' HA ' ' CG ' ' A' ' 14' ' ' LYS . 5.4 mm -68.15 -27.96 39.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.083 -179.352 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 8' ' ' LEU . 36.2 mt -56.48 -44.26 80.43 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.079 -0.648 . . . . 0.0 110.415 -179.239 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.7 mmm180 -61.26 -26.59 67.87 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.625 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.402 ' CG ' ' HA ' ' A' ' 11' ' ' ILE . 8.0 mmpt? -70.97 -46.97 61.42 Favored 'General case' 0 CA--C 1.513 -0.466 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 179.401 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.495 HG13 ' N ' ' A' ' 16' ' ' ALA . 0.5 OUTLIER -66.35 -36.53 77.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 179.633 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.495 ' N ' HG13 ' A' ' 15' ' ' ILE . . . -64.09 -48.58 75.6 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.541 179.084 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.63 -29.68 69.06 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-O 121.397 0.617 . . . . 0.0 109.366 178.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -71.92 -33.81 68.58 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.538 179.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -90.09 -35.33 15.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.17 179.617 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.57 0 O-C-N 120.129 -1.607 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_endo . . . . . 0 N--CA 1.477 0.501 0 N-CA-C 108.226 -1.49 . . . . 0.0 108.226 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' MET . . . . . 0.595 ' SD ' ' N ' ' A' ' 3' ' ' ALA . 4.1 ppp? -51.34 -41.1 60.36 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.923 -178.713 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.595 ' N ' ' SD ' ' A' ' 2' ' ' MET . . . -56.59 -47.25 79.96 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.0 mtp180 -73.08 -47.12 47.23 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.156 -0.474 . . . . 0.0 109.747 178.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.403 ' HB2' ' HA ' ' A' ' 2' ' ' MET . 7.7 m120 -48.99 -46.24 43.5 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.523 179.693 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.9 tptm -68.58 -47.07 67.74 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.721 179.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.4 mm -59.44 -47.89 89.12 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 C-N-CA 120.543 -0.463 . . . . 0.0 110.345 -179.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.42 HD11 ' C ' ' A' ' 8' ' ' LEU . 1.2 pp -69.41 -37.48 77.5 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 178.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.405 ' N ' ' HG ' ' A' ' 8' ' ' LEU . . . -56.26 -40.69 85.32 Favored Glycine 0 CA--C 1.52 0.396 0 N-CA-C 109.679 -1.368 . . . . 0.0 109.679 178.66 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.0 ttmm -60.31 -37.71 81.4 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 178.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.436 HG22 HD11 ' A' ' 11' ' ' ILE . 8.9 mm -64.22 -35.11 72.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.039 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 42.9 mt -57.74 -40.87 80.68 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.193 0.521 . . . . 0.0 110.117 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.6 mmm180 -58.0 -32.66 68.13 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.302 179.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.426 ' H ' ' HG2' ' A' ' 14' ' ' LYS . 4.1 mmpt? -73.07 -46.06 53.73 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 178.363 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.431 ' O ' ' N ' ' A' ' 19' ' ' LYS . 9.4 mm -63.3 -41.78 94.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.559 179.216 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.36 -38.01 73.5 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 179.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.59 -45.29 25.67 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.173 179.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -68.47 -47.62 66.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.702 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 15' ' ' ILE . 1.2 tptm -89.13 -6.7 56.82 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.297 -1.681 0 O-C-N 120.017 -1.677 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_exo . . . . . 0 N--CA 1.485 1.015 0 N-CA-C 110.385 -0.66 . . . . 0.0 110.385 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 5.7 mmt -52.64 -40.99 63.35 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 121.099 -0.24 . . . . 0.0 111.321 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.9 -47.26 74.56 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.21 -179.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 51.2 mtp180 -72.53 -46.28 55.3 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.411 -0.515 . . . . 0.0 109.688 179.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.459 ' HA ' ' CD2' ' A' ' 8' ' ' LEU . 20.6 t-20 -49.62 -41.96 43.68 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 178.766 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.97 -45.57 77.3 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.936 179.269 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 15.8 mm -68.45 -46.4 80.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.244 -179.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.459 ' CD2' ' HA ' ' A' ' 5' ' ' ASN . 4.5 pp -62.68 -35.22 78.97 Favored 'General case' 0 CA--C 1.518 -0.272 0 C-N-CA 119.31 -0.956 . . . . 0.0 109.116 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.542 ' O ' ' NH2' ' A' ' 13' ' ' ARG . . . -56.88 -45.96 91.13 Favored Glycine 0 C--N 1.331 0.287 0 N-CA-C 109.341 -1.503 . . . . 0.0 109.341 178.27 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.539 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 2.0 tmtm? -69.9 -36.33 75.32 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.067 0.461 . . . . 0.0 109.803 178.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.7 mm -74.57 -25.84 19.53 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.748 -179.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 8' ' ' LEU . 11.4 mt -54.9 -37.92 66.93 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -177.639 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.543 ' H ' ' CD ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -57.56 -33.49 68.2 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.186 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.4 mmpt? -63.35 -42.34 98.91 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 178.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.488 HD13 HG21 ' A' ' 15' ' ' ILE . 38.2 mm -64.39 -43.64 97.06 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 178.609 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.89 -47.36 83.02 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 108.601 -0.888 . . . . 0.0 108.601 178.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.17 -41.32 92.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.13 178.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -66.72 -41.77 87.38 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.652 -0.703 . . . . 0.0 109.868 179.388 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.5 mtpm? -66.75 -49.79 64.84 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 179.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.401 0 O-C-N 120.099 -1.626 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . 0.505 ' HD2' ' SD ' ' A' ' 2' ' ' MET . 5.7 Cg_exo . . . . . 0 N--CA 1.481 0.749 0 N-CA-C 109.832 -0.872 . . . . 0.0 109.832 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' MET . . . . . 0.505 ' SD ' ' HD2' ' A' ' 1' ' ' PRO . 0.0 OUTLIER -64.36 -32.07 73.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.619 -178.785 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.27 -32.8 57.12 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.014 -179.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 69.7 mtm180 -52.27 -47.83 65.6 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 119.984 -0.686 . . . . 0.0 109.904 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.469 ' HA ' ' CD2' ' A' ' 8' ' ' LEU . 9.6 t-20 -52.01 -39.55 59.65 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.02 -47.67 67.79 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.954 179.051 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 11.9 mm -66.94 -46.56 84.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.295 -179.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.469 ' CD2' ' HA ' ' A' ' 5' ' ' ASN . 4.1 pp -66.99 -37.3 83.97 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.007 -0.677 . . . . 0.0 109.735 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -61.51 -47.73 88.93 Favored Glycine 0 CA--C 1.519 0.302 0 N-CA-C 109.428 -1.469 . . . . 0.0 109.428 178.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -60.13 -41.29 92.36 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 179.668 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.7 mm -78.5 -28.48 14.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.511 -179.169 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 8' ' ' LEU . 7.7 mt -56.68 -47.67 79.35 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.311 -0.556 . . . . 0.0 111.738 -177.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.51 -27.49 66.21 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.0 mmtt -73.34 -36.56 66.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.456 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.424 HD12 HG22 ' A' ' 15' ' ' ILE . 50.4 mm -53.99 -43.49 58.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.82 -41.63 82.61 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.859 179.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.74 -40.16 42.0 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.008 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.578 ' CE1' ' CG ' ' A' ' 19' ' ' LYS . 0.5 OUTLIER -65.06 -44.86 87.59 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.248 -179.408 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.578 ' CG ' ' CE1' ' A' ' 18' ' ' PHE . 25.6 mmtm -133.44 62.94 1.64 Allowed 'General case' 0 C--O 1.235 0.307 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.042 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.553 0 O-C-N 120.09 -1.631 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo . . . . . 0 N--CA 1.477 0.504 0 N-CA-C 109.122 -1.145 . . . . 0.0 109.122 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.7 -26.21 13.26 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.817 -179.587 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.05 -32.36 61.83 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 179.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.481 ' NH1' ' OD1' ' A' ' 5' ' ' ASN . 1.3 ttp180 -51.7 -44.72 63.25 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 179.233 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.481 ' OD1' ' NH1' ' A' ' 4' ' ' ARG . 4.4 m120 -57.79 -43.44 85.62 Favored 'General case' 0 CA--C 1.519 -0.212 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 179.046 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.16 -40.5 82.33 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.009 178.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 16.4 mm -59.56 -48.19 88.22 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 C-N-CA 120.576 -0.449 . . . . 0.0 110.757 -179.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.0 pp -70.08 -39.83 75.36 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.065 -0.654 . . . . 0.0 109.757 179.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.78 -39.95 78.72 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.07 -39.17 86.78 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-O 120.953 0.406 . . . . 0.0 110.312 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 24.6 mm -58.93 -38.46 73.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.596 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 79.3 mt -58.38 -40.16 81.57 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.103 0.478 . . . . 0.0 111.035 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.467 ' HA ' ' NE ' ' A' ' 13' ' ' ARG . 1.6 mmm180 -57.88 -34.84 70.21 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.288 -179.701 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.2 mmpt? -59.01 -44.35 91.67 Favored 'General case' 0 CA--C 1.516 -0.363 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 179.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 25.6 mm -72.98 -48.61 43.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.165 -0.925 . . . . 0.0 109.344 178.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.41 -42.74 82.91 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.831 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.58 -40.16 92.43 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.897 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.83 -47.85 28.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.424 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.8 mtpm? -75.4 0.33 17.34 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.39 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.424 0 O-C-N 119.892 -1.755 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo . . . . . 0 N--CA 1.482 0.796 0 N-CA-C 109.657 -0.94 . . . . 0.0 109.657 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' MET . . . . . 0.416 ' SD ' ' N ' ' A' ' 2' ' ' MET . 3.7 mpp? -56.54 -30.2 62.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.04 -179.529 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.58 -43.46 76.0 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.06 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.28 -41.18 92.82 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 179.169 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.406 HD21 ' C ' ' A' ' 5' ' ' ASN . 0.3 OUTLIER -65.36 -42.38 92.82 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.654 179.11 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.28 -48.06 81.67 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.613 -179.607 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 20.0 pt -68.27 -32.81 57.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.7 tp -61.05 -45.55 94.31 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 178.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.424 ' O ' ' HB2' ' A' ' 12' ' ' LEU . . . -51.67 -34.04 35.36 Favored Glycine 0 CA--C 1.521 0.421 0 N-CA-C 110.026 -1.229 . . . . 0.0 110.026 179.681 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.1 tmmm? -59.16 -35.9 74.35 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.103 0.477 . . . . 0.0 109.828 179.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.485 HD13 HG23 ' A' ' 11' ' ' ILE . 4.8 mm -71.77 -28.83 31.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.372 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.424 ' HB2' ' O ' ' A' ' 9' ' ' GLY . 3.9 mm? -58.17 -42.98 87.21 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-O 120.878 0.371 . . . . 0.0 110.8 -179.237 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.81 -38.64 72.86 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 -179.758 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.3 mmtt -73.05 -45.42 57.6 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 178.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.422 ' HB ' ' HA ' ' A' ' 12' ' ' LEU . 3.4 mm -57.62 -43.56 83.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.034 -0.984 . . . . 0.0 109.281 179.001 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.59 -47.53 79.37 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.289 -0.414 . . . . 0.0 109.927 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.26 -42.56 96.42 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 179.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -66.33 -47.75 72.48 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.9 179.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.5 tptm -68.11 62.22 0.08 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.089 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.541 0 O-C-N 119.875 -1.766 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_exo . . . . . 0 N--CA 1.481 0.765 0 N-CA-C 109.551 -0.98 . . . . 0.0 109.551 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' MET . . . . . 0.412 ' N ' ' SD ' ' A' ' 2' ' ' MET . 1.8 mpt? -52.63 -42.16 64.38 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.053 -179.788 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.97 -46.12 75.58 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 178.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.424 ' O ' ' N ' ' A' ' 8' ' ' LEU . 18.9 tpp85 -57.64 -43.59 85.0 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.485 -0.78 . . . . 0.0 108.929 178.65 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -49.68 -46.47 49.97 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 178.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.9 tmtm? -67.13 -47.98 69.45 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 179.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.442 HD11 HG21 ' A' ' 7' ' ' ILE . 22.2 mt -59.12 -39.0 77.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 179.54 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 4' ' ' ARG . 12.1 tp -56.65 -44.28 81.15 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.246 -0.649 . . . . 0.0 109.246 179.075 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -54.39 -35.22 55.59 Favored Glycine 0 N--CA 1.453 -0.216 0 N-CA-C 109.452 -1.459 . . . . 0.0 109.452 179.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.17 -38.13 79.03 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 179.186 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.417 HG21 HD11 ' A' ' 11' ' ' ILE . 28.9 mm -73.62 -32.98 37.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.246 179.561 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 39.3 mt -58.13 -42.73 86.46 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.411 -0.516 . . . . 0.0 110.373 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.406 ' HG2' ' H ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -58.08 -29.25 65.29 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 178.773 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.09 -44.3 63.47 Favored 'General case' 0 CA--C 1.518 -0.278 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 178.306 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.3 mm -55.21 -43.17 69.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 179.071 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.17 -47.16 84.25 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 178.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.02 -39.21 90.03 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.422 179.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.45 ' CD2' ' C ' ' A' ' 18' ' ' PHE . 0.2 OUTLIER -65.79 -46.42 78.74 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 178.944 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 48.3 mmtt -74.45 54.84 0.6 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.831 178.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.47 0 O-C-N 119.972 -1.705 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo . . . . . 0 N--CA 1.48 0.68 0 N-CA-C 110.25 -0.711 . . . . 0.0 110.25 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 11.7 mmm -52.51 -45.39 66.23 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 121.014 -0.274 . . . . 0.0 110.973 -179.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.29 -47.07 82.43 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.576 -0.528 . . . . 0.0 109.576 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 19.6 tpp180 -66.8 -46.01 76.56 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 178.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.4 ' HA ' ' CD2' ' A' ' 8' ' ' LEU . 41.8 t30 -50.53 -46.04 57.16 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.743 179.102 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.6 mmtp -66.94 -43.53 82.99 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.802 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 79.8 mt -71.04 -44.93 74.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.389 -178.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.466 ' CD1' ' C ' ' A' ' 8' ' ' LEU . 1.4 pp -59.78 -31.61 69.84 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 119.841 -0.744 . . . . 0.0 109.812 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -54.51 -37.91 61.74 Favored Glycine 0 CA--C 1.521 0.426 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 178.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.428 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -66.47 -37.98 86.32 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 178.53 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.422 ' HA ' ' CG ' ' A' ' 14' ' ' LYS . 15.1 mm -65.48 -28.66 44.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.468 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 89.3 mt -58.31 -47.28 84.2 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 120.052 -0.659 . . . . 0.0 110.04 -179.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.84 -29.79 67.19 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 178.735 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.428 ' HG2' ' O ' ' A' ' 10' ' ' LYS . 3.1 mmtt -71.22 -36.88 72.01 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.611 178.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.8 mm -54.99 -40.61 54.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 179.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.412 ' O ' ' N ' ' A' ' 20' ' ' NH2 . . . -62.36 -39.0 91.7 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 178.23 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.35 -44.64 87.06 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 178.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.64 -48.41 72.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.003 179.357 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.8 mttm -78.3 -7.17 56.92 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.488 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . 0.412 ' N ' ' O ' ' A' ' 16' ' ' ALA . . . . . . . . 0 C--N 1.3 -1.58 0 O-C-N 119.782 -1.824 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_exo . . . . . 0 N--CA 1.486 1.046 0 N-CA-C 109.081 -1.161 . . . . 0.0 109.081 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 3.4 mtt -53.0 -35.58 59.53 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.787 -179.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -56.4 -46.95 79.93 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.333 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.411 ' HA ' HG12 ' A' ' 7' ' ' ILE . 5.5 mtp85 -62.2 -46.46 88.79 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 179.109 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.1 -40.01 69.96 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.606 -0.724 . . . . 0.0 109.736 178.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.2 mmtm -67.6 -49.12 64.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.496 -179.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.411 HG12 ' HA ' ' A' ' 4' ' ' ARG . 13.4 pt -70.22 -45.1 76.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 120.597 -0.441 . . . . 0.0 111.836 -178.542 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.7 pp -59.87 -38.51 82.38 Favored 'General case' 0 C--O 1.232 0.172 0 C-N-CA 119.134 -1.027 . . . . 0.0 108.996 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -57.5 -44.75 93.63 Favored Glycine 0 C--N 1.33 0.244 0 N-CA-C 110.087 -1.205 . . . . 0.0 110.087 178.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -59.5 -37.9 79.49 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 178.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.418 ' O ' HG12 ' A' ' 15' ' ' ILE . 11.1 mm -75.05 -32.61 27.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.901 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 17.4 mt -56.97 -43.94 82.13 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -178.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.428 ' HB2' ' HE2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -56.79 -34.29 67.51 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.428 ' HE2' ' HB2' ' A' ' 13' ' ' ARG . 6.9 mmtt -72.85 -46.39 53.17 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 178.472 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.418 HG12 ' O ' ' A' ' 11' ' ' ILE . 28.5 mm -56.8 -43.8 80.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.387 179.03 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.58 -45.44 85.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.724 179.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.2 -42.57 68.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.807 179.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -64.38 -42.76 95.98 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.053 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.9 mtpm? -82.83 -31.4 28.1 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.127 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.567 0 O-C-N 120.09 -1.631 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.218 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 21.1 mtp180 -53.01 -41.22 64.47 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.214 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -77.49 -39.21 47.15 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -60.09 -49.02 79.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.867 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.5 pt -65.51 -42.17 92.56 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.016 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.449 HD22 ' HA ' ' A' ' 8' ' ' LEU . 0.6 OUTLIER -66.51 -46.51 75.98 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 179.292 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.58 ' O ' ' HD2' ' A' ' 13' ' ' ARG . . . -53.57 -35.36 51.52 Favored Glycine 0 C--O 1.227 -0.306 0 N-CA-C 110.036 -1.225 . . . . 0.0 110.036 179.19 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.45 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -59.52 -36.77 76.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.272 0.558 . . . . 0.0 110.26 178.789 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 6.8 mm -73.66 -26.77 22.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.919 -178.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -56.74 -48.25 78.2 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.687 -0.405 . . . . 0.0 112.078 -177.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.58 ' HD2' ' O ' ' A' ' 9' ' ' GLY . 0.0 OUTLIER -57.23 -40.44 77.55 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 119.85 -0.74 . . . . 0.0 109.362 179.864 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.466 ' H ' ' HG2' ' A' ' 14' ' ' LYS . 4.9 mmpt? -61.78 -45.93 91.74 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 179.474 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.6 mm -65.91 -47.73 84.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.463 179.243 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.8 -44.5 86.35 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.73 -37.63 85.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.725 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.55 -44.5 70.79 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.021 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.3 mttm . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.579 179.814 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.2 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.403 ' HE ' ' HB3' ' A' ' 4' ' ' ARG . 22.6 mtp180 -53.44 -46.1 69.71 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 179.614 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 64.2 t-20 -55.14 -44.33 75.0 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 178.401 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.98 -41.54 97.49 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 179.142 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.1 mm -65.92 -36.2 76.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 179.343 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.425 HD22 ' HA ' ' A' ' 8' ' ' LEU . 0.1 OUTLIER -55.53 -47.31 76.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.791 179.686 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -52.96 -39.28 56.57 Favored Glycine 0 CA--C 1.52 0.364 0 N-CA-C 109.778 -1.329 . . . . 0.0 109.778 179.445 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.95 -38.91 76.29 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.356 0.598 . . . . 0.0 109.617 178.576 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.432 ' HA ' ' HG3' ' A' ' 14' ' ' LYS . 5.4 mm -68.15 -27.96 39.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.083 -179.352 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' ' 12' ' ' LEU . 36.2 mt -56.48 -44.26 80.43 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.079 -0.648 . . . . 0.0 110.415 -179.239 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.7 mmm180 -61.26 -26.59 67.87 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.625 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.432 ' HG3' ' HA ' ' A' ' 11' ' ' ILE . 8.0 mmpt? -70.97 -46.97 61.42 Favored 'General case' 0 CA--C 1.513 -0.466 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 179.401 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.527 ' C ' HD12 ' A' ' 15' ' ' ILE . 0.5 OUTLIER -66.35 -36.53 77.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 179.633 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.494 ' N ' HG13 ' A' ' 15' ' ' ILE . . . -64.09 -48.58 75.6 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.541 179.084 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.63 -29.68 69.06 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-O 121.397 0.617 . . . . 0.0 109.366 178.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -71.92 -33.81 68.58 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.538 179.471 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.17 179.617 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.247 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.0 mtp180 -73.08 -47.12 47.23 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.156 -0.474 . . . . 0.0 109.747 178.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -48.99 -46.24 43.5 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.523 179.693 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.9 tptm -68.58 -47.07 67.74 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.721 179.597 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.4 mm -59.44 -47.89 89.12 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 C-N-CA 120.543 -0.463 . . . . 0.0 110.345 -179.396 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.427 ' C ' HD12 ' A' ' 8' ' ' LEU . 1.2 pp -69.41 -37.48 77.5 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 178.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.423 ' N ' ' HG ' ' A' ' 8' ' ' LEU . . . -56.26 -40.69 85.32 Favored Glycine 0 CA--C 1.52 0.396 0 N-CA-C 109.679 -1.368 . . . . 0.0 109.679 178.66 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.0 ttmm -60.31 -37.71 81.4 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 178.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.414 ' HA ' ' HG3' ' A' ' 14' ' ' LYS . 8.9 mm -64.22 -35.11 72.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.039 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 42.9 mt -57.74 -40.87 80.68 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.193 0.521 . . . . 0.0 110.117 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.454 ' HG2' ' H ' ' A' ' 13' ' ' ARG . 2.6 mmm180 -58.0 -32.66 68.13 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.302 179.246 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.425 ' H ' ' HG2' ' A' ' 14' ' ' LYS . 4.1 mmpt? -73.07 -46.06 53.73 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 178.363 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 9.4 mm -63.3 -41.78 94.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.559 179.216 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.36 -38.01 73.5 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 179.483 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.59 -45.29 25.67 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.173 179.608 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -68.47 -47.62 66.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.702 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.2 tptm . . . . . 0 C--N 1.324 -0.502 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 179.999 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.248 0 N-CA-C 110.21 -0.292 . . . . 0.0 110.21 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 51.2 mtp180 -72.53 -46.28 55.3 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.411 -0.515 . . . . 0.0 109.688 179.333 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.48 ' HA ' HD21 ' A' ' 8' ' ' LEU . 20.6 t-20 -49.62 -41.96 43.68 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 178.766 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.97 -45.57 77.3 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.936 179.269 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 15.8 mm -68.45 -46.4 80.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.244 -179.233 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.709 HD12 ' N ' ' A' ' 9' ' ' GLY . 4.5 pp -62.68 -35.22 78.97 Favored 'General case' 0 CA--C 1.518 -0.272 0 C-N-CA 119.31 -0.956 . . . . 0.0 109.116 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.709 ' N ' HD12 ' A' ' 8' ' ' LEU . . . -56.88 -45.96 91.13 Favored Glycine 0 C--N 1.331 0.287 0 N-CA-C 109.341 -1.503 . . . . 0.0 109.341 178.27 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.563 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 2.0 tmtm? -69.9 -36.33 75.32 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.067 0.461 . . . . 0.0 109.803 178.705 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.7 mm -74.57 -25.84 19.53 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.748 -179.488 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 8' ' ' LEU . 11.4 mt -54.9 -37.92 66.93 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -177.639 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.618 ' H ' ' CD ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -57.56 -33.49 68.2 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.186 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.449 ' H ' ' HG2' ' A' ' 14' ' ' LYS . 9.4 mmpt? -63.35 -42.34 98.91 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 178.66 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 38.2 mm -64.39 -43.64 97.06 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 178.609 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.89 -47.36 83.02 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 108.601 -0.888 . . . . 0.0 108.601 178.704 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.17 -41.32 92.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.13 178.678 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -66.72 -41.77 87.38 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.652 -0.703 . . . . 0.0 109.868 179.388 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.5 mtpm? . . . . . 0 C--N 1.33 -0.276 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 179.435 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 -0.302 0 CA-C-O 120.493 0.187 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 69.7 mtm180 -52.27 -47.83 65.6 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 119.984 -0.686 . . . . 0.0 109.904 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.528 ' HA ' HD21 ' A' ' 8' ' ' LEU . 9.6 t-20 -52.01 -39.55 59.65 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.02 -47.67 67.79 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.954 179.051 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 11.9 mm -66.94 -46.56 84.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.295 -179.058 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.54 HD12 ' N ' ' A' ' 9' ' ' GLY . 4.1 pp -66.99 -37.3 83.97 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.007 -0.677 . . . . 0.0 109.735 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.54 ' N ' HD12 ' A' ' 8' ' ' LEU . . . -61.51 -47.73 88.93 Favored Glycine 0 CA--C 1.519 0.302 0 N-CA-C 109.428 -1.469 . . . . 0.0 109.428 178.693 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -60.13 -41.29 92.36 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 179.668 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.7 mm -78.5 -28.48 14.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.511 -179.169 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 8' ' ' LEU . 7.7 mt -56.68 -47.67 79.35 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.311 -0.556 . . . . 0.0 111.738 -177.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.43 ' HG2' ' H ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -59.51 -27.49 66.21 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.0 mmtt -73.34 -36.56 66.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.456 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 50.4 mm -53.99 -43.49 58.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.82 -41.63 82.61 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.859 179.362 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.74 -40.16 42.0 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.008 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.578 ' CE1' ' CG ' ' A' ' 19' ' ' LYS . 0.5 OUTLIER -65.06 -44.86 87.59 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.248 -179.408 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.578 ' CG ' ' CE1' ' A' ' 18' ' ' PHE . 25.6 mmtm . . . . . 0 C--O 1.235 0.307 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.042 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.216 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.481 ' NH1' ' OD1' ' A' ' 5' ' ' ASN . 1.3 ttp180 -51.7 -44.72 63.25 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 179.233 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.481 ' OD1' ' NH1' ' A' ' 4' ' ' ARG . 4.4 m120 -57.79 -43.44 85.62 Favored 'General case' 0 CA--C 1.519 -0.212 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 179.046 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.16 -40.5 82.33 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.009 178.815 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 16.4 mm -59.56 -48.19 88.22 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 C-N-CA 120.576 -0.449 . . . . 0.0 110.757 -179.133 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.695 HD12 ' N ' ' A' ' 9' ' ' GLY . 4.0 pp -70.08 -39.83 75.36 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.065 -0.654 . . . . 0.0 109.757 179.287 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.695 ' N ' HD12 ' A' ' 8' ' ' LEU . . . -55.78 -39.95 78.72 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.622 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.07 -39.17 86.78 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-O 120.953 0.406 . . . . 0.0 110.312 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 24.6 mm -58.93 -38.46 73.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.596 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 79.3 mt -58.38 -40.16 81.57 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.103 0.478 . . . . 0.0 111.035 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.463 ' HA ' ' NE ' ' A' ' 13' ' ' ARG . 1.6 mmm180 -57.88 -34.84 70.21 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.288 -179.701 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.2 mmpt? -59.01 -44.35 91.67 Favored 'General case' 0 CA--C 1.516 -0.363 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 179.252 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 25.6 mm -72.98 -48.61 43.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.165 -0.925 . . . . 0.0 109.344 178.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.41 -42.74 82.91 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.831 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.58 -40.16 92.43 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.897 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.83 -47.85 28.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.424 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.8 mtpm? . . . . . 0 C--N 1.331 -0.239 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.39 179.68 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.141 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.28 -41.18 92.82 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 179.169 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 52.2 t-20 -65.36 -42.38 92.82 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.654 179.11 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.28 -48.06 81.67 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.613 -179.607 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.409 HG21 HD13 ' A' ' 7' ' ' ILE . 20.0 pt -68.27 -32.81 57.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 179.549 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.7 tp -61.05 -45.55 94.31 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 178.431 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.431 ' O ' ' HB2' ' A' ' 12' ' ' LEU . . . -51.67 -34.04 35.36 Favored Glycine 0 CA--C 1.521 0.421 0 N-CA-C 110.026 -1.229 . . . . 0.0 110.026 179.681 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.405 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 5.1 tmmm? -59.16 -35.9 74.35 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.103 0.477 . . . . 0.0 109.828 179.565 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.8 mm -71.77 -28.83 31.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.372 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.434 ' HA ' ' HB ' ' A' ' 15' ' ' ILE . 3.9 mm? -58.17 -42.98 87.21 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-O 120.878 0.371 . . . . 0.0 110.8 -179.237 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.425 ' HG2' ' H ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -56.81 -38.64 72.86 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 -179.758 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.3 mmtt -73.05 -45.42 57.6 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 178.413 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.434 ' HB ' ' HA ' ' A' ' 12' ' ' LEU . 3.4 mm -57.62 -43.56 83.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.034 -0.984 . . . . 0.0 109.281 179.001 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.59 -47.53 79.37 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.289 -0.414 . . . . 0.0 109.927 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.26 -42.56 96.42 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 179.119 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -66.33 -47.75 72.48 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.9 179.522 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.5 tptm . . . . . 0 C--N 1.324 -0.514 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.089 179.81 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.516 -0.331 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.428 ' O ' ' N ' ' A' ' 8' ' ' LEU . 18.9 tpp85 -57.64 -43.59 85.0 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.485 -0.78 . . . . 0.0 108.929 178.65 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -49.68 -46.47 49.97 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 178.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.9 tmtm? -67.13 -47.98 69.45 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 179.054 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 22.2 mt -59.12 -39.0 77.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 179.54 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 4' ' ' ARG . 12.1 tp -56.65 -44.28 81.15 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.246 -0.649 . . . . 0.0 109.246 179.075 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -54.39 -35.22 55.59 Favored Glycine 0 N--CA 1.453 -0.216 0 N-CA-C 109.452 -1.459 . . . . 0.0 109.452 179.279 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.17 -38.13 79.03 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 179.186 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 28.9 mm -73.62 -32.98 37.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.246 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' A' ' 12' ' ' LEU . 39.3 mt -58.13 -42.73 86.46 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.411 -0.516 . . . . 0.0 110.373 -179.573 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.442 ' HG2' ' H ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -58.08 -29.25 65.29 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 178.773 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.09 -44.3 63.47 Favored 'General case' 0 CA--C 1.518 -0.278 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 178.306 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.3 mm -55.21 -43.17 69.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 179.071 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.17 -47.16 84.25 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 178.7 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.02 -39.21 90.03 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.422 179.164 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.45 ' CD2' ' C ' ' A' ' 18' ' ' PHE . 0.2 OUTLIER -65.79 -46.42 78.74 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 178.944 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 48.3 mmtt . . . . . 0 C--N 1.326 -0.429 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.831 178.946 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 -0.112 0 N-CA-C 109.576 -0.528 . . . . 0.0 109.576 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 19.6 tpp180 -66.8 -46.01 76.56 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 178.524 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.409 ' HA ' ' CD2' ' A' ' 8' ' ' LEU . 41.8 t30 -50.53 -46.04 57.16 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.743 179.102 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.6 mmtp -66.94 -43.53 82.99 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.802 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 79.8 mt -71.04 -44.93 74.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.389 -178.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.701 ' C ' HD12 ' A' ' 8' ' ' LEU . 1.4 pp -59.78 -31.61 69.84 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 119.841 -0.744 . . . . 0.0 109.812 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -54.51 -37.91 61.74 Favored Glycine 0 CA--C 1.521 0.426 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 178.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.444 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -66.47 -37.98 86.32 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 178.53 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.433 ' HA ' ' CG ' ' A' ' 14' ' ' LYS . 15.1 mm -65.48 -28.66 44.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.468 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 12' ' ' LEU . 89.3 mt -58.31 -47.28 84.2 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 120.052 -0.659 . . . . 0.0 110.04 -179.53 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.4 ' HG2' ' O ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -58.84 -29.79 67.19 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 178.735 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.444 ' HG2' ' O ' ' A' ' 10' ' ' LYS . 3.1 mmtt -71.22 -36.88 72.01 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.611 178.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.8 mm -54.99 -40.61 54.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 179.411 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.36 -39.0 91.7 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 178.23 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.35 -44.64 87.06 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 178.475 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.64 -48.41 72.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.003 179.357 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.8 mttm . . . . . 0 C--N 1.325 -0.463 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.488 -179.871 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.272 0 CA-C-O 120.782 0.325 . . . . 0.0 110.333 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.411 ' HA ' HG12 ' A' ' 7' ' ' ILE . 5.5 mtp85 -62.2 -46.46 88.79 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 179.109 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.411 ' HA ' HD21 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -55.1 -40.01 69.96 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.606 -0.724 . . . . 0.0 109.736 178.721 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.2 mmtm -67.6 -49.12 64.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.496 -179.232 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.411 HG12 ' HA ' ' A' ' 4' ' ' ARG . 13.4 pt -70.22 -45.1 76.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 120.597 -0.441 . . . . 0.0 111.836 -178.542 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.582 ' C ' HD12 ' A' ' 8' ' ' LEU . 3.7 pp -59.87 -38.51 82.38 Favored 'General case' 0 C--O 1.232 0.172 0 C-N-CA 119.134 -1.027 . . . . 0.0 108.996 179.615 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.569 ' N ' HD12 ' A' ' 8' ' ' LEU . . . -57.5 -44.75 93.63 Favored Glycine 0 C--N 1.33 0.244 0 N-CA-C 110.087 -1.205 . . . . 0.0 110.087 178.427 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.401 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 1.6 tmtp? -59.5 -37.9 79.49 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 178.8 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.434 ' O ' HG12 ' A' ' 15' ' ' ILE . 11.1 mm -75.05 -32.61 27.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.901 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 12' ' ' LEU . 17.4 mt -56.97 -43.94 82.13 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -178.752 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.445 ' HB2' ' HE2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -56.79 -34.29 67.51 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.445 ' HE2' ' HB2' ' A' ' 13' ' ' ARG . 6.9 mmtt -72.85 -46.39 53.17 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 178.472 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.434 HG12 ' O ' ' A' ' 11' ' ' ILE . 28.5 mm -56.8 -43.8 80.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.387 179.03 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.58 -45.44 85.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.724 179.272 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.2 -42.57 68.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.807 179.398 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -64.38 -42.76 95.98 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.053 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.9 mtpm? . . . . . 0 C--N 1.323 -0.581 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.127 179.722 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo . . . . . 0 C--O 1.235 0.372 0 N-CA-C 108.878 -1.239 . . . . 0.0 108.878 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -58.39 -16.88 16.57 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.136 -179.338 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.91 -45.15 74.72 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 21.1 mtp180 -53.01 -41.22 64.47 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.214 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -77.49 -39.21 47.15 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -60.09 -49.02 79.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.867 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.5 pt -65.51 -42.17 92.56 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.016 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.449 HD22 ' HA ' ' A' ' 8' ' ' LEU . 0.6 OUTLIER -66.51 -46.51 75.98 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 179.292 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.58 ' O ' ' HD2' ' A' ' 13' ' ' ARG . . . -53.57 -35.36 51.52 Favored Glycine 0 C--O 1.227 -0.306 0 N-CA-C 110.036 -1.225 . . . . 0.0 110.036 179.19 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.45 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -59.52 -36.77 76.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.272 0.558 . . . . 0.0 110.26 178.789 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 6.8 mm -73.66 -26.77 22.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.919 -178.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -56.74 -48.25 78.2 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.687 -0.405 . . . . 0.0 112.078 -177.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.58 ' HD2' ' O ' ' A' ' 9' ' ' GLY . 0.0 OUTLIER -57.23 -40.44 77.55 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 119.85 -0.74 . . . . 0.0 109.362 179.864 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.466 ' H ' ' HG2' ' A' ' 14' ' ' LYS . 4.9 mmpt? -61.78 -45.93 91.74 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 179.474 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.6 mm -65.91 -47.73 84.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.463 179.243 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.8 -44.5 86.35 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.73 -37.63 85.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.725 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.55 -44.5 70.79 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.021 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.3 mttm -79.79 -16.35 55.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.579 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.598 0 O-C-N 120.306 -1.496 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo . . . . . 0 N--CA 1.478 0.589 0 N-CA-C 108.751 -1.288 . . . . 0.0 108.751 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 54.6 mtp -55.4 -29.1 57.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.893 -179.113 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -68.92 -46.93 67.0 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.531 -0.467 . . . . 0.0 109.954 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.403 ' HE ' ' HB3' ' A' ' 4' ' ' ARG . 22.6 mtp180 -53.44 -46.1 69.71 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 179.614 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 64.2 t-20 -55.14 -44.33 75.0 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 178.401 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.98 -41.54 97.49 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 179.142 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.1 mm -65.92 -36.2 76.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 179.343 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.425 HD22 ' HA ' ' A' ' 8' ' ' LEU . 0.1 OUTLIER -55.53 -47.31 76.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.791 179.686 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -52.96 -39.28 56.57 Favored Glycine 0 CA--C 1.52 0.364 0 N-CA-C 109.778 -1.329 . . . . 0.0 109.778 179.445 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.95 -38.91 76.29 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.356 0.598 . . . . 0.0 109.617 178.576 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.432 ' HA ' ' HG3' ' A' ' 14' ' ' LYS . 5.4 mm -68.15 -27.96 39.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.083 -179.352 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' ' 12' ' ' LEU . 36.2 mt -56.48 -44.26 80.43 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.079 -0.648 . . . . 0.0 110.415 -179.239 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.7 mmm180 -61.26 -26.59 67.87 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.625 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.432 ' HG3' ' HA ' ' A' ' 11' ' ' ILE . 8.0 mmpt? -70.97 -46.97 61.42 Favored 'General case' 0 CA--C 1.513 -0.466 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 179.401 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.527 ' C ' HD12 ' A' ' 15' ' ' ILE . 0.5 OUTLIER -66.35 -36.53 77.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 179.633 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.494 ' N ' HG13 ' A' ' 15' ' ' ILE . . . -64.09 -48.58 75.6 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.541 179.084 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.63 -29.68 69.06 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-O 121.397 0.617 . . . . 0.0 109.366 178.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -71.92 -33.81 68.58 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.538 179.471 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -90.09 -35.33 15.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.17 179.617 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . 0.428 ' N ' ' O ' ' A' ' 16' ' ' ALA . . . . . . . . 0 C--N 1.3 -1.57 0 O-C-N 120.129 -1.607 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_endo . . . . . 0 N--CA 1.477 0.501 0 N-CA-C 108.226 -1.49 . . . . 0.0 108.226 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' MET . . . . . 0.595 ' SD ' ' N ' ' A' ' 3' ' ' ALA . 4.1 ppp? -51.34 -41.1 60.36 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.923 -178.713 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.595 ' N ' ' SD ' ' A' ' 2' ' ' MET . . . -56.59 -47.25 79.96 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.654 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.0 mtp180 -73.08 -47.12 47.23 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.156 -0.474 . . . . 0.0 109.747 178.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.43 ' HB2' ' HA ' ' A' ' 2' ' ' MET . 7.7 m120 -48.99 -46.24 43.5 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.523 179.693 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.9 tptm -68.58 -47.07 67.74 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.721 179.597 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.4 mm -59.44 -47.89 89.12 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 C-N-CA 120.543 -0.463 . . . . 0.0 110.345 -179.396 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.427 ' C ' HD12 ' A' ' 8' ' ' LEU . 1.2 pp -69.41 -37.48 77.5 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 178.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.423 ' N ' ' HG ' ' A' ' 8' ' ' LEU . . . -56.26 -40.69 85.32 Favored Glycine 0 CA--C 1.52 0.396 0 N-CA-C 109.679 -1.368 . . . . 0.0 109.679 178.66 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.0 ttmm -60.31 -37.71 81.4 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 178.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.414 ' HA ' ' HG3' ' A' ' 14' ' ' LYS . 8.9 mm -64.22 -35.11 72.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.039 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 42.9 mt -57.74 -40.87 80.68 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.193 0.521 . . . . 0.0 110.117 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.454 ' HG2' ' H ' ' A' ' 13' ' ' ARG . 2.6 mmm180 -58.0 -32.66 68.13 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.302 179.246 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.425 ' H ' ' HG2' ' A' ' 14' ' ' LYS . 4.1 mmpt? -73.07 -46.06 53.73 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 178.363 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 9.4 mm -63.3 -41.78 94.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.559 179.216 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.36 -38.01 73.5 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 179.483 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.59 -45.29 25.67 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.173 179.608 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -68.47 -47.62 66.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.702 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.2 tptm -89.13 -6.7 56.82 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.297 -1.681 0 O-C-N 120.017 -1.677 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_exo . . . . . 0 N--CA 1.485 1.015 0 N-CA-C 110.385 -0.66 . . . . 0.0 110.385 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 5.7 mmt -52.64 -40.99 63.35 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 121.099 -0.24 . . . . 0.0 111.321 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.9 -47.26 74.56 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.21 -179.544 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 51.2 mtp180 -72.53 -46.28 55.3 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.411 -0.515 . . . . 0.0 109.688 179.333 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.48 ' HA ' HD21 ' A' ' 8' ' ' LEU . 20.6 t-20 -49.62 -41.96 43.68 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 178.766 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.97 -45.57 77.3 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.936 179.269 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 15.8 mm -68.45 -46.4 80.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.244 -179.233 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.709 HD12 ' N ' ' A' ' 9' ' ' GLY . 4.5 pp -62.68 -35.22 78.97 Favored 'General case' 0 CA--C 1.518 -0.272 0 C-N-CA 119.31 -0.956 . . . . 0.0 109.116 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.709 ' N ' HD12 ' A' ' 8' ' ' LEU . . . -56.88 -45.96 91.13 Favored Glycine 0 C--N 1.331 0.287 0 N-CA-C 109.341 -1.503 . . . . 0.0 109.341 178.27 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.563 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 2.0 tmtm? -69.9 -36.33 75.32 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.067 0.461 . . . . 0.0 109.803 178.705 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.7 mm -74.57 -25.84 19.53 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.748 -179.488 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 8' ' ' LEU . 11.4 mt -54.9 -37.92 66.93 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -177.639 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.618 ' H ' ' CD ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -57.56 -33.49 68.2 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.186 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.449 ' H ' ' HG2' ' A' ' 14' ' ' LYS . 9.4 mmpt? -63.35 -42.34 98.91 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 178.66 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 38.2 mm -64.39 -43.64 97.06 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 178.609 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.89 -47.36 83.02 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 108.601 -0.888 . . . . 0.0 108.601 178.704 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.17 -41.32 92.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.13 178.678 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -66.72 -41.77 87.38 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.652 -0.703 . . . . 0.0 109.868 179.388 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.5 mtpm? -66.75 -49.79 64.84 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 179.435 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.401 0 O-C-N 120.099 -1.626 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' PRO . . . . . 0.499 ' HD2' ' SD ' ' A' ' 2' ' ' MET . 5.7 Cg_exo . . . . . 0 N--CA 1.481 0.749 0 N-CA-C 109.832 -0.872 . . . . 0.0 109.832 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' MET . . . . . 0.499 ' SD ' ' HD2' ' A' ' 1' ' ' PRO . 0.0 OUTLIER -64.36 -32.07 73.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.619 -178.785 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.27 -32.8 57.12 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.014 -179.032 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 69.7 mtm180 -52.27 -47.83 65.6 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 119.984 -0.686 . . . . 0.0 109.904 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.528 ' HA ' HD21 ' A' ' 8' ' ' LEU . 9.6 t-20 -52.01 -39.55 59.65 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.02 -47.67 67.79 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.954 179.051 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 11.9 mm -66.94 -46.56 84.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.295 -179.058 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.54 HD12 ' N ' ' A' ' 9' ' ' GLY . 4.1 pp -66.99 -37.3 83.97 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.007 -0.677 . . . . 0.0 109.735 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.54 ' N ' HD12 ' A' ' 8' ' ' LEU . . . -61.51 -47.73 88.93 Favored Glycine 0 CA--C 1.519 0.302 0 N-CA-C 109.428 -1.469 . . . . 0.0 109.428 178.693 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -60.13 -41.29 92.36 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 179.668 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.7 mm -78.5 -28.48 14.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.511 -179.169 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 8' ' ' LEU . 7.7 mt -56.68 -47.67 79.35 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.311 -0.556 . . . . 0.0 111.738 -177.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.43 ' HG2' ' H ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -59.51 -27.49 66.21 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.0 mmtt -73.34 -36.56 66.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.456 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 50.4 mm -53.99 -43.49 58.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.82 -41.63 82.61 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.859 179.362 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.74 -40.16 42.0 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.008 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.578 ' CE1' ' CG ' ' A' ' 19' ' ' LYS . 0.5 OUTLIER -65.06 -44.86 87.59 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.248 -179.408 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.578 ' CG ' ' CE1' ' A' ' 18' ' ' PHE . 25.6 mmtm -133.44 62.94 1.64 Allowed 'General case' 0 C--O 1.235 0.307 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.042 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.553 0 O-C-N 120.09 -1.631 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo . . . . . 0 N--CA 1.477 0.504 0 N-CA-C 109.122 -1.145 . . . . 0.0 109.122 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.7 -26.21 13.26 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.817 -179.587 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.05 -32.36 61.83 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 179.652 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.481 ' NH1' ' OD1' ' A' ' 5' ' ' ASN . 1.3 ttp180 -51.7 -44.72 63.25 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 179.233 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.481 ' OD1' ' NH1' ' A' ' 4' ' ' ARG . 4.4 m120 -57.79 -43.44 85.62 Favored 'General case' 0 CA--C 1.519 -0.212 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 179.046 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.16 -40.5 82.33 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.009 178.815 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 16.4 mm -59.56 -48.19 88.22 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 C-N-CA 120.576 -0.449 . . . . 0.0 110.757 -179.133 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.695 HD12 ' N ' ' A' ' 9' ' ' GLY . 4.0 pp -70.08 -39.83 75.36 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.065 -0.654 . . . . 0.0 109.757 179.287 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.695 ' N ' HD12 ' A' ' 8' ' ' LEU . . . -55.78 -39.95 78.72 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.622 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.07 -39.17 86.78 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-O 120.953 0.406 . . . . 0.0 110.312 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 24.6 mm -58.93 -38.46 73.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.596 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 79.3 mt -58.38 -40.16 81.57 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.103 0.478 . . . . 0.0 111.035 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.463 ' HA ' ' NE ' ' A' ' 13' ' ' ARG . 1.6 mmm180 -57.88 -34.84 70.21 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.288 -179.701 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.2 mmpt? -59.01 -44.35 91.67 Favored 'General case' 0 CA--C 1.516 -0.363 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 179.252 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 25.6 mm -72.98 -48.61 43.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.165 -0.925 . . . . 0.0 109.344 178.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.41 -42.74 82.91 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.831 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.58 -40.16 92.43 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.897 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.83 -47.85 28.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.424 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.8 mtpm? -75.4 0.33 17.34 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.39 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.424 0 O-C-N 119.892 -1.755 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo . . . . . 0 N--CA 1.482 0.796 0 N-CA-C 109.657 -0.94 . . . . 0.0 109.657 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 3.7 mpp? -56.54 -30.2 62.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.04 -179.529 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.58 -43.46 76.0 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.06 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.28 -41.18 92.82 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 179.169 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 52.2 t-20 -65.36 -42.38 92.82 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.654 179.11 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.28 -48.06 81.67 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.613 -179.607 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.409 HG21 HD13 ' A' ' 7' ' ' ILE . 20.0 pt -68.27 -32.81 57.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 179.549 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.7 tp -61.05 -45.55 94.31 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 178.431 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.431 ' O ' ' HB2' ' A' ' 12' ' ' LEU . . . -51.67 -34.04 35.36 Favored Glycine 0 CA--C 1.521 0.421 0 N-CA-C 110.026 -1.229 . . . . 0.0 110.026 179.681 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.405 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 5.1 tmmm? -59.16 -35.9 74.35 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.103 0.477 . . . . 0.0 109.828 179.565 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.8 mm -71.77 -28.83 31.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.372 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.434 ' HA ' ' HB ' ' A' ' 15' ' ' ILE . 3.9 mm? -58.17 -42.98 87.21 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-O 120.878 0.371 . . . . 0.0 110.8 -179.237 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.425 ' HG2' ' H ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -56.81 -38.64 72.86 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 -179.758 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.3 mmtt -73.05 -45.42 57.6 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 178.413 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.434 ' HB ' ' HA ' ' A' ' 12' ' ' LEU . 3.4 mm -57.62 -43.56 83.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.034 -0.984 . . . . 0.0 109.281 179.001 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.59 -47.53 79.37 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.289 -0.414 . . . . 0.0 109.927 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.26 -42.56 96.42 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 179.119 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -66.33 -47.75 72.48 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.9 179.522 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.5 tptm -68.11 62.22 0.08 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.089 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.541 0 O-C-N 119.875 -1.766 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_exo . . . . . 0 N--CA 1.481 0.765 0 N-CA-C 109.551 -0.98 . . . . 0.0 109.551 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' MET . . . . . 0.412 ' N ' ' SD ' ' A' ' 2' ' ' MET . 1.8 mpt? -52.63 -42.16 64.38 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.053 -179.788 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.97 -46.12 75.58 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 178.561 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.428 ' O ' ' N ' ' A' ' 8' ' ' LEU . 18.9 tpp85 -57.64 -43.59 85.0 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.485 -0.78 . . . . 0.0 108.929 178.65 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -49.68 -46.47 49.97 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 178.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.9 tmtm? -67.13 -47.98 69.45 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 179.054 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 22.2 mt -59.12 -39.0 77.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 179.54 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 4' ' ' ARG . 12.1 tp -56.65 -44.28 81.15 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.246 -0.649 . . . . 0.0 109.246 179.075 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -54.39 -35.22 55.59 Favored Glycine 0 N--CA 1.453 -0.216 0 N-CA-C 109.452 -1.459 . . . . 0.0 109.452 179.279 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.17 -38.13 79.03 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 179.186 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 28.9 mm -73.62 -32.98 37.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.246 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' A' ' 12' ' ' LEU . 39.3 mt -58.13 -42.73 86.46 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.411 -0.516 . . . . 0.0 110.373 -179.573 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.442 ' HG2' ' H ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -58.08 -29.25 65.29 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 178.773 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.09 -44.3 63.47 Favored 'General case' 0 CA--C 1.518 -0.278 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 178.306 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.3 mm -55.21 -43.17 69.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 179.071 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.17 -47.16 84.25 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 178.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.02 -39.21 90.03 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.422 179.164 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.45 ' CD2' ' C ' ' A' ' 18' ' ' PHE . 0.2 OUTLIER -65.79 -46.42 78.74 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 178.944 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 48.3 mmtt -74.45 54.84 0.6 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.831 178.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.47 0 O-C-N 119.972 -1.705 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo . . . . . 0 N--CA 1.48 0.68 0 N-CA-C 110.25 -0.711 . . . . 0.0 110.25 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 11.7 mmm -52.51 -45.39 66.23 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 121.014 -0.274 . . . . 0.0 110.973 -179.089 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.29 -47.07 82.43 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.576 -0.528 . . . . 0.0 109.576 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 19.6 tpp180 -66.8 -46.01 76.56 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 178.524 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.409 ' HA ' ' CD2' ' A' ' 8' ' ' LEU . 41.8 t30 -50.53 -46.04 57.16 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.743 179.102 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.6 mmtp -66.94 -43.53 82.99 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.802 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 79.8 mt -71.04 -44.93 74.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.389 -178.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.701 ' C ' HD12 ' A' ' 8' ' ' LEU . 1.4 pp -59.78 -31.61 69.84 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 119.841 -0.744 . . . . 0.0 109.812 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -54.51 -37.91 61.74 Favored Glycine 0 CA--C 1.521 0.426 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 178.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.444 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -66.47 -37.98 86.32 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 178.53 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.433 ' HA ' ' CG ' ' A' ' 14' ' ' LYS . 15.1 mm -65.48 -28.66 44.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.468 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 12' ' ' LEU . 89.3 mt -58.31 -47.28 84.2 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 120.052 -0.659 . . . . 0.0 110.04 -179.53 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.4 ' HG2' ' O ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -58.84 -29.79 67.19 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 178.735 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.444 ' HG2' ' O ' ' A' ' 10' ' ' LYS . 3.1 mmtt -71.22 -36.88 72.01 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.611 178.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.8 mm -54.99 -40.61 54.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 179.411 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.412 ' O ' ' N ' ' A' ' 20' ' ' NH2 . . . -62.36 -39.0 91.7 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 178.23 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.35 -44.64 87.06 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 178.475 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.64 -48.41 72.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.003 179.357 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.8 mttm -78.3 -7.17 56.92 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.488 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . 0.412 ' N ' ' O ' ' A' ' 16' ' ' ALA . . . . . . . . 0 C--N 1.3 -1.58 0 O-C-N 119.782 -1.824 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_exo . . . . . 0 N--CA 1.486 1.046 0 N-CA-C 109.081 -1.161 . . . . 0.0 109.081 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 3.4 mtt -53.0 -35.58 59.53 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.787 -179.005 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -56.4 -46.95 79.93 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.333 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.411 ' HA ' HG12 ' A' ' 7' ' ' ILE . 5.5 mtp85 -62.2 -46.46 88.79 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 179.109 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.411 ' HA ' HD21 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -55.1 -40.01 69.96 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.606 -0.724 . . . . 0.0 109.736 178.721 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.2 mmtm -67.6 -49.12 64.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.496 -179.232 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.411 HG12 ' HA ' ' A' ' 4' ' ' ARG . 13.4 pt -70.22 -45.1 76.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 120.597 -0.441 . . . . 0.0 111.836 -178.542 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.582 ' C ' HD12 ' A' ' 8' ' ' LEU . 3.7 pp -59.87 -38.51 82.38 Favored 'General case' 0 C--O 1.232 0.172 0 C-N-CA 119.134 -1.027 . . . . 0.0 108.996 179.615 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.569 ' N ' HD12 ' A' ' 8' ' ' LEU . . . -57.5 -44.75 93.63 Favored Glycine 0 C--N 1.33 0.244 0 N-CA-C 110.087 -1.205 . . . . 0.0 110.087 178.427 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.401 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 1.6 tmtp? -59.5 -37.9 79.49 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 178.8 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.434 ' O ' HG12 ' A' ' 15' ' ' ILE . 11.1 mm -75.05 -32.61 27.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.901 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 12' ' ' LEU . 17.4 mt -56.97 -43.94 82.13 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -178.752 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.445 ' HB2' ' HE2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -56.79 -34.29 67.51 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.445 ' HE2' ' HB2' ' A' ' 13' ' ' ARG . 6.9 mmtt -72.85 -46.39 53.17 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 178.472 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.434 HG12 ' O ' ' A' ' 11' ' ' ILE . 28.5 mm -56.8 -43.8 80.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.387 179.03 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 20' ' ' NH2 . . . -57.58 -45.44 85.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.724 179.272 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.2 -42.57 68.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.807 179.398 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -64.38 -42.76 95.98 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.053 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.9 mtpm? -82.83 -31.4 28.1 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.127 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . 0.423 ' N ' ' O ' ' A' ' 16' ' ' ALA . . . . . . . . 0 C--N 1.3 -1.567 0 O-C-N 120.09 -1.631 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.218 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 21.1 mtp180 -53.01 -41.22 64.47 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.214 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -77.49 -39.21 47.15 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -60.09 -49.02 79.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.867 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.5 pt -65.51 -42.17 92.56 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.016 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.449 ' HA ' HD22 ' A' ' 8' ' ' LEU . 0.6 OUTLIER -66.51 -46.51 75.98 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 179.292 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.58 ' O ' ' HD2' ' A' ' 13' ' ' ARG . . . -53.57 -35.36 51.52 Favored Glycine 0 C--O 1.227 -0.306 0 N-CA-C 110.036 -1.225 . . . . 0.0 110.036 179.19 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.45 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -59.52 -36.77 76.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.272 0.558 . . . . 0.0 110.26 178.789 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 6.8 mm -73.66 -26.77 22.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.919 -178.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -56.74 -48.25 78.2 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.687 -0.405 . . . . 0.0 112.078 -177.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.58 ' HD2' ' O ' ' A' ' 9' ' ' GLY . 0.0 OUTLIER -57.23 -40.44 77.55 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 119.85 -0.74 . . . . 0.0 109.362 179.864 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.466 ' H ' ' HG2' ' A' ' 14' ' ' LYS . 4.9 mmpt? -61.78 -45.93 91.74 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 179.474 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.6 mm -65.91 -47.73 84.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.463 179.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.8 -44.5 86.35 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.73 -37.63 85.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.725 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.55 -44.5 70.79 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.021 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.3 mttm . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.579 179.814 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.2 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.403 ' HE ' ' HB3' ' A' ' 4' ' ' ARG . 22.6 mtp180 -53.44 -46.1 69.71 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 179.614 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.531 HD22 ' C ' ' A' ' 5' ' ' ASN . 0.3 OUTLIER -55.14 -44.33 75.0 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 178.401 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.98 -41.54 97.49 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 179.142 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.1 mm -65.92 -36.2 76.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 179.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.425 ' HA ' HD22 ' A' ' 8' ' ' LEU . 0.1 OUTLIER -55.53 -47.31 76.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.791 179.686 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -52.96 -39.28 56.57 Favored Glycine 0 CA--C 1.52 0.364 0 N-CA-C 109.778 -1.329 . . . . 0.0 109.778 179.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.95 -38.91 76.29 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.356 0.598 . . . . 0.0 109.617 178.576 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.432 ' HA ' ' HG3' ' A' ' 14' ' ' LYS . 5.4 mm -68.15 -27.96 39.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.083 -179.352 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' ' 12' ' ' LEU . 36.2 mt -56.48 -44.26 80.43 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.079 -0.648 . . . . 0.0 110.415 -179.239 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.7 mmm180 -61.26 -26.59 67.87 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.625 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.432 ' HG3' ' HA ' ' A' ' 11' ' ' ILE . 8.0 mmpt? -70.97 -46.97 61.42 Favored 'General case' 0 CA--C 1.513 -0.466 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 179.401 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.527 ' C ' HD12 ' A' ' 15' ' ' ILE . 0.5 OUTLIER -66.35 -36.53 77.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 179.633 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.494 ' N ' HG13 ' A' ' 15' ' ' ILE . . . -64.09 -48.58 75.6 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.541 179.084 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.63 -29.68 69.06 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-O 121.397 0.617 . . . . 0.0 109.366 178.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -71.92 -33.81 68.58 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.538 179.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.17 179.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.247 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.0 mtp180 -73.08 -47.12 47.23 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.156 -0.474 . . . . 0.0 109.747 178.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -48.99 -46.24 43.5 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.523 179.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.9 tptm -68.58 -47.07 67.74 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.721 179.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.4 mm -59.44 -47.89 89.12 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 C-N-CA 120.543 -0.463 . . . . 0.0 110.345 -179.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.427 ' C ' HD12 ' A' ' 8' ' ' LEU . 1.2 pp -69.41 -37.48 77.5 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 178.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.423 ' N ' ' HG ' ' A' ' 8' ' ' LEU . . . -56.26 -40.69 85.32 Favored Glycine 0 CA--C 1.52 0.396 0 N-CA-C 109.679 -1.368 . . . . 0.0 109.679 178.66 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.0 ttmm -60.31 -37.71 81.4 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 178.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.414 ' HA ' ' HG3' ' A' ' 14' ' ' LYS . 8.9 mm -64.22 -35.11 72.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.039 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 42.9 mt -57.74 -40.87 80.68 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.193 0.521 . . . . 0.0 110.117 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.454 ' HG2' ' H ' ' A' ' 13' ' ' ARG . 2.6 mmm180 -58.0 -32.66 68.13 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.302 179.246 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.425 ' H ' ' HG2' ' A' ' 14' ' ' LYS . 4.1 mmpt? -73.07 -46.06 53.73 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 178.363 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 9.4 mm -63.3 -41.78 94.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.559 179.216 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.36 -38.01 73.5 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 179.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.59 -45.29 25.67 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.173 179.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -68.47 -47.62 66.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.702 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.2 tptm . . . . . 0 C--N 1.324 -0.502 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 179.999 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.248 0 N-CA-C 110.21 -0.292 . . . . 0.0 110.21 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 51.2 mtp180 -72.53 -46.28 55.3 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.411 -0.515 . . . . 0.0 109.688 179.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.48 ' HA ' HD21 ' A' ' 8' ' ' LEU . 20.6 t-20 -49.62 -41.96 43.68 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 178.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.97 -45.57 77.3 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.936 179.269 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 15.8 mm -68.45 -46.4 80.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.244 -179.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.709 HD12 ' N ' ' A' ' 9' ' ' GLY . 4.5 pp -62.68 -35.22 78.97 Favored 'General case' 0 CA--C 1.518 -0.272 0 C-N-CA 119.31 -0.956 . . . . 0.0 109.116 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.709 ' N ' HD12 ' A' ' 8' ' ' LEU . . . -56.88 -45.96 91.13 Favored Glycine 0 C--N 1.331 0.287 0 N-CA-C 109.341 -1.503 . . . . 0.0 109.341 178.27 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.563 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 2.0 tmtm? -69.9 -36.33 75.32 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.067 0.461 . . . . 0.0 109.803 178.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.7 mm -74.57 -25.84 19.53 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.748 -179.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 8' ' ' LEU . 11.4 mt -54.9 -37.92 66.93 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -177.639 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.618 ' H ' ' CD ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -57.56 -33.49 68.2 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.186 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.449 ' H ' ' HG2' ' A' ' 14' ' ' LYS . 9.4 mmpt? -63.35 -42.34 98.91 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 178.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 38.2 mm -64.39 -43.64 97.06 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 178.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.89 -47.36 83.02 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 108.601 -0.888 . . . . 0.0 108.601 178.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.17 -41.32 92.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.13 178.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -66.72 -41.77 87.38 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.652 -0.703 . . . . 0.0 109.868 179.388 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.5 mtpm? . . . . . 0 C--N 1.33 -0.276 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 179.435 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 -0.302 0 CA-C-O 120.493 0.187 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 69.7 mtm180 -52.27 -47.83 65.6 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 119.984 -0.686 . . . . 0.0 109.904 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.528 ' HA ' HD21 ' A' ' 8' ' ' LEU . 9.6 t-20 -52.01 -39.55 59.65 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.02 -47.67 67.79 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.954 179.051 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 11.9 mm -66.94 -46.56 84.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.295 -179.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.54 HD12 ' N ' ' A' ' 9' ' ' GLY . 4.1 pp -66.99 -37.3 83.97 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.007 -0.677 . . . . 0.0 109.735 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.54 ' N ' HD12 ' A' ' 8' ' ' LEU . . . -61.51 -47.73 88.93 Favored Glycine 0 CA--C 1.519 0.302 0 N-CA-C 109.428 -1.469 . . . . 0.0 109.428 178.693 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -60.13 -41.29 92.36 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 179.668 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.7 mm -78.5 -28.48 14.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.511 -179.169 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 8' ' ' LEU . 7.7 mt -56.68 -47.67 79.35 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.311 -0.556 . . . . 0.0 111.738 -177.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.43 ' HG2' ' H ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -59.51 -27.49 66.21 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.0 mmtt -73.34 -36.56 66.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.456 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 50.4 mm -53.99 -43.49 58.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.82 -41.63 82.61 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.859 179.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.74 -40.16 42.0 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.008 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.578 ' CE1' ' CG ' ' A' ' 19' ' ' LYS . 0.5 OUTLIER -65.06 -44.86 87.59 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.248 -179.408 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.578 ' CG ' ' CE1' ' A' ' 18' ' ' PHE . 25.6 mmtm . . . . . 0 C--O 1.235 0.307 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.216 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.481 ' NH1' ' OD1' ' A' ' 5' ' ' ASN . 1.3 ttp180 -51.7 -44.72 63.25 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 179.233 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.481 ' OD1' ' NH1' ' A' ' 4' ' ' ARG . 4.4 m120 -57.79 -43.44 85.62 Favored 'General case' 0 CA--C 1.519 -0.212 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 179.046 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.16 -40.5 82.33 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.009 178.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 16.4 mm -59.56 -48.19 88.22 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 C-N-CA 120.576 -0.449 . . . . 0.0 110.757 -179.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.695 HD12 ' N ' ' A' ' 9' ' ' GLY . 4.0 pp -70.08 -39.83 75.36 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.065 -0.654 . . . . 0.0 109.757 179.287 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.695 ' N ' HD12 ' A' ' 8' ' ' LEU . . . -55.78 -39.95 78.72 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.622 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.07 -39.17 86.78 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-O 120.953 0.406 . . . . 0.0 110.312 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 24.6 mm -58.93 -38.46 73.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.596 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 79.3 mt -58.38 -40.16 81.57 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.103 0.478 . . . . 0.0 111.035 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.463 ' HA ' ' NE ' ' A' ' 13' ' ' ARG . 1.6 mmm180 -57.88 -34.84 70.21 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.288 -179.701 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.2 mmpt? -59.01 -44.35 91.67 Favored 'General case' 0 CA--C 1.516 -0.363 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 179.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 25.6 mm -72.98 -48.61 43.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.165 -0.925 . . . . 0.0 109.344 178.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.41 -42.74 82.91 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.831 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.58 -40.16 92.43 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.897 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.83 -47.85 28.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.424 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.8 mtpm? . . . . . 0 C--N 1.331 -0.239 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.39 179.68 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.141 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.28 -41.18 92.82 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 179.169 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.433 HD22 ' C ' ' A' ' 5' ' ' ASN . 0.3 OUTLIER -65.36 -42.38 92.82 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.654 179.11 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.28 -48.06 81.67 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.613 -179.607 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.409 HG21 HD13 ' A' ' 7' ' ' ILE . 20.0 pt -68.27 -32.81 57.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 179.549 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.7 tp -61.05 -45.55 94.31 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 178.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.431 ' O ' ' HB2' ' A' ' 12' ' ' LEU . . . -51.67 -34.04 35.36 Favored Glycine 0 CA--C 1.521 0.421 0 N-CA-C 110.026 -1.229 . . . . 0.0 110.026 179.681 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.405 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 5.1 tmmm? -59.16 -35.9 74.35 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.103 0.477 . . . . 0.0 109.828 179.565 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.8 mm -71.77 -28.83 31.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.372 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.434 ' HA ' ' HB ' ' A' ' 15' ' ' ILE . 3.9 mm? -58.17 -42.98 87.21 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-O 120.878 0.371 . . . . 0.0 110.8 -179.237 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.425 ' HG2' ' H ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -56.81 -38.64 72.86 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 -179.758 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.3 mmtt -73.05 -45.42 57.6 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 178.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.434 ' HB ' ' HA ' ' A' ' 12' ' ' LEU . 3.4 mm -57.62 -43.56 83.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.034 -0.984 . . . . 0.0 109.281 179.001 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.59 -47.53 79.37 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.289 -0.414 . . . . 0.0 109.927 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.26 -42.56 96.42 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 179.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -66.33 -47.75 72.48 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.9 179.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.5 tptm . . . . . 0 C--N 1.324 -0.514 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.089 179.81 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.516 -0.331 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.428 ' O ' ' N ' ' A' ' 8' ' ' LEU . 18.9 tpp85 -57.64 -43.59 85.0 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.485 -0.78 . . . . 0.0 108.929 178.65 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -49.68 -46.47 49.97 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 178.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.9 tmtm? -67.13 -47.98 69.45 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 179.054 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 22.2 mt -59.12 -39.0 77.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 179.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 4' ' ' ARG . 12.1 tp -56.65 -44.28 81.15 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.246 -0.649 . . . . 0.0 109.246 179.075 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -54.39 -35.22 55.59 Favored Glycine 0 N--CA 1.453 -0.216 0 N-CA-C 109.452 -1.459 . . . . 0.0 109.452 179.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.17 -38.13 79.03 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 179.186 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 28.9 mm -73.62 -32.98 37.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.246 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.444 ' HA ' HD23 ' A' ' 12' ' ' LEU . 39.3 mt -58.13 -42.73 86.46 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.411 -0.516 . . . . 0.0 110.373 -179.573 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.442 ' HG2' ' H ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -58.08 -29.25 65.29 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 178.773 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.09 -44.3 63.47 Favored 'General case' 0 CA--C 1.518 -0.278 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 178.306 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.3 mm -55.21 -43.17 69.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 179.071 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.17 -47.16 84.25 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 178.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.02 -39.21 90.03 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.422 179.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.45 ' CD2' ' C ' ' A' ' 18' ' ' PHE . 0.2 OUTLIER -65.79 -46.42 78.74 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 178.944 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 48.3 mmtt . . . . . 0 C--N 1.326 -0.429 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.831 178.946 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 -0.112 0 N-CA-C 109.576 -0.528 . . . . 0.0 109.576 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 19.6 tpp180 -66.8 -46.01 76.56 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 178.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.409 ' HA ' ' CD2' ' A' ' 8' ' ' LEU . 41.8 t30 -50.53 -46.04 57.16 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.743 179.102 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.6 mmtp -66.94 -43.53 82.99 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.802 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 79.8 mt -71.04 -44.93 74.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.389 -178.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.701 ' C ' HD12 ' A' ' 8' ' ' LEU . 1.4 pp -59.78 -31.61 69.84 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 119.841 -0.744 . . . . 0.0 109.812 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -54.51 -37.91 61.74 Favored Glycine 0 CA--C 1.521 0.426 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 178.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.444 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -66.47 -37.98 86.32 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 178.53 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.433 ' HA ' ' CG ' ' A' ' 14' ' ' LYS . 15.1 mm -65.48 -28.66 44.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.468 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 12' ' ' LEU . 89.3 mt -58.31 -47.28 84.2 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 120.052 -0.659 . . . . 0.0 110.04 -179.53 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.4 ' HG2' ' O ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -58.84 -29.79 67.19 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 178.735 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.444 ' HG2' ' O ' ' A' ' 10' ' ' LYS . 3.1 mmtt -71.22 -36.88 72.01 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.611 178.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.8 mm -54.99 -40.61 54.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 179.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.36 -39.0 91.7 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 178.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.35 -44.64 87.06 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 178.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.64 -48.41 72.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.003 179.357 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.8 mttm . . . . . 0 C--N 1.325 -0.463 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.488 -179.871 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.272 0 CA-C-O 120.782 0.325 . . . . 0.0 110.333 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.411 ' HA ' HG12 ' A' ' 7' ' ' ILE . 5.5 mtp85 -62.2 -46.46 88.79 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 179.109 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.411 ' HA ' HD21 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -55.1 -40.01 69.96 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.606 -0.724 . . . . 0.0 109.736 178.721 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.2 mmtm -67.6 -49.12 64.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.496 -179.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.411 HG12 ' HA ' ' A' ' 4' ' ' ARG . 13.4 pt -70.22 -45.1 76.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 120.597 -0.441 . . . . 0.0 111.836 -178.542 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.582 ' C ' HD12 ' A' ' 8' ' ' LEU . 3.7 pp -59.87 -38.51 82.38 Favored 'General case' 0 C--O 1.232 0.172 0 C-N-CA 119.134 -1.027 . . . . 0.0 108.996 179.615 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.569 ' N ' HD12 ' A' ' 8' ' ' LEU . . . -57.5 -44.75 93.63 Favored Glycine 0 C--N 1.33 0.244 0 N-CA-C 110.087 -1.205 . . . . 0.0 110.087 178.427 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.401 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 1.6 tmtp? -59.5 -37.9 79.49 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 178.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.434 ' O ' HG12 ' A' ' 15' ' ' ILE . 11.1 mm -75.05 -32.61 27.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.901 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.427 ' HA ' HD23 ' A' ' 12' ' ' LEU . 17.4 mt -56.97 -43.94 82.13 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -178.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.445 ' HB2' ' HE2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -56.79 -34.29 67.51 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.445 ' HE2' ' HB2' ' A' ' 13' ' ' ARG . 6.9 mmtt -72.85 -46.39 53.17 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 178.472 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.434 HG12 ' O ' ' A' ' 11' ' ' ILE . 28.5 mm -56.8 -43.8 80.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.387 179.03 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.58 -45.44 85.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.724 179.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.2 -42.57 68.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.807 179.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -64.38 -42.76 95.98 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.053 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.9 mtpm? . . . . . 0 C--N 1.323 -0.581 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.127 179.722 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo . . . . . 0 C--O 1.235 0.372 0 N-CA-C 108.878 -1.239 . . . . 0.0 108.878 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -58.39 -16.88 16.57 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.136 -179.338 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.91 -45.15 74.72 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 21.1 mtp180 -53.01 -41.22 64.47 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.214 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -77.49 -39.21 47.15 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -60.09 -49.02 79.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.867 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.5 pt -65.51 -42.17 92.56 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.016 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.449 ' HA ' HD22 ' A' ' 8' ' ' LEU . 0.6 OUTLIER -66.51 -46.51 75.98 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 179.292 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.58 ' O ' ' HD2' ' A' ' 13' ' ' ARG . . . -53.57 -35.36 51.52 Favored Glycine 0 C--O 1.227 -0.306 0 N-CA-C 110.036 -1.225 . . . . 0.0 110.036 179.19 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.45 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -59.52 -36.77 76.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.272 0.558 . . . . 0.0 110.26 178.789 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 6.8 mm -73.66 -26.77 22.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.919 -178.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -56.74 -48.25 78.2 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.687 -0.405 . . . . 0.0 112.078 -177.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.58 ' HD2' ' O ' ' A' ' 9' ' ' GLY . 0.0 OUTLIER -57.23 -40.44 77.55 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 119.85 -0.74 . . . . 0.0 109.362 179.864 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.466 ' H ' ' HG2' ' A' ' 14' ' ' LYS . 4.9 mmpt? -61.78 -45.93 91.74 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 179.474 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.6 mm -65.91 -47.73 84.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.463 179.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.8 -44.5 86.35 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.73 -37.63 85.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.725 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.55 -44.5 70.79 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.021 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.3 mttm -79.79 -16.35 55.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.579 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.598 0 O-C-N 120.306 -1.496 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo . . . . . 0 N--CA 1.478 0.589 0 N-CA-C 108.751 -1.288 . . . . 0.0 108.751 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 54.6 mtp -55.4 -29.1 57.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.893 -179.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -68.92 -46.93 67.0 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.531 -0.467 . . . . 0.0 109.954 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.403 ' HE ' ' HB3' ' A' ' 4' ' ' ARG . 22.6 mtp180 -53.44 -46.1 69.71 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 179.614 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.531 HD22 ' C ' ' A' ' 5' ' ' ASN . 0.3 OUTLIER -55.14 -44.33 75.0 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 178.401 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.98 -41.54 97.49 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 179.142 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.1 mm -65.92 -36.2 76.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 179.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.425 ' HA ' HD22 ' A' ' 8' ' ' LEU . 0.1 OUTLIER -55.53 -47.31 76.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.791 179.686 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -52.96 -39.28 56.57 Favored Glycine 0 CA--C 1.52 0.364 0 N-CA-C 109.778 -1.329 . . . . 0.0 109.778 179.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.95 -38.91 76.29 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.356 0.598 . . . . 0.0 109.617 178.576 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.432 ' HA ' ' HG3' ' A' ' 14' ' ' LYS . 5.4 mm -68.15 -27.96 39.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.083 -179.352 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' ' 12' ' ' LEU . 36.2 mt -56.48 -44.26 80.43 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.079 -0.648 . . . . 0.0 110.415 -179.239 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.7 mmm180 -61.26 -26.59 67.87 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.625 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.432 ' HG3' ' HA ' ' A' ' 11' ' ' ILE . 8.0 mmpt? -70.97 -46.97 61.42 Favored 'General case' 0 CA--C 1.513 -0.466 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 179.401 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.527 ' C ' HD12 ' A' ' 15' ' ' ILE . 0.5 OUTLIER -66.35 -36.53 77.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 179.633 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.494 ' N ' HG13 ' A' ' 15' ' ' ILE . . . -64.09 -48.58 75.6 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.541 179.084 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.63 -29.68 69.06 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-O 121.397 0.617 . . . . 0.0 109.366 178.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -71.92 -33.81 68.58 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.538 179.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -90.09 -35.33 15.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.17 179.617 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . 0.428 ' N ' ' O ' ' A' ' 16' ' ' ALA . . . . . . . . 0 C--N 1.3 -1.57 0 O-C-N 120.129 -1.607 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_endo . . . . . 0 N--CA 1.477 0.501 0 N-CA-C 108.226 -1.49 . . . . 0.0 108.226 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . 0.595 ' SD ' ' N ' ' A' ' 3' ' ' ALA . 4.1 ppp? -51.34 -41.1 60.36 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.923 -178.713 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.595 ' N ' ' SD ' ' A' ' 2' ' ' MET . . . -56.59 -47.25 79.96 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.0 mtp180 -73.08 -47.12 47.23 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.156 -0.474 . . . . 0.0 109.747 178.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.43 ' HB2' ' HA ' ' A' ' 2' ' ' MET . 7.7 m120 -48.99 -46.24 43.5 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.523 179.693 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.9 tptm -68.58 -47.07 67.74 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.721 179.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.4 mm -59.44 -47.89 89.12 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 C-N-CA 120.543 -0.463 . . . . 0.0 110.345 -179.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.427 ' C ' HD12 ' A' ' 8' ' ' LEU . 1.2 pp -69.41 -37.48 77.5 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 178.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.423 ' N ' ' HG ' ' A' ' 8' ' ' LEU . . . -56.26 -40.69 85.32 Favored Glycine 0 CA--C 1.52 0.396 0 N-CA-C 109.679 -1.368 . . . . 0.0 109.679 178.66 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.0 ttmm -60.31 -37.71 81.4 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 178.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.414 ' HA ' ' HG3' ' A' ' 14' ' ' LYS . 8.9 mm -64.22 -35.11 72.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.039 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 42.9 mt -57.74 -40.87 80.68 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.193 0.521 . . . . 0.0 110.117 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.454 ' HG2' ' H ' ' A' ' 13' ' ' ARG . 2.6 mmm180 -58.0 -32.66 68.13 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.302 179.246 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.425 ' H ' ' HG2' ' A' ' 14' ' ' LYS . 4.1 mmpt? -73.07 -46.06 53.73 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 178.363 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 9.4 mm -63.3 -41.78 94.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.559 179.216 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.36 -38.01 73.5 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 179.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.59 -45.29 25.67 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.173 179.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -68.47 -47.62 66.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.702 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.2 tptm -89.13 -6.7 56.82 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.297 -1.681 0 O-C-N 120.017 -1.677 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_exo . . . . . 0 N--CA 1.485 1.015 0 N-CA-C 110.385 -0.66 . . . . 0.0 110.385 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 5.7 mmt -52.64 -40.99 63.35 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 121.099 -0.24 . . . . 0.0 111.321 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.9 -47.26 74.56 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.21 -179.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 51.2 mtp180 -72.53 -46.28 55.3 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.411 -0.515 . . . . 0.0 109.688 179.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.48 ' HA ' HD21 ' A' ' 8' ' ' LEU . 20.6 t-20 -49.62 -41.96 43.68 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 178.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.97 -45.57 77.3 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.936 179.269 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 15.8 mm -68.45 -46.4 80.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.244 -179.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.709 HD12 ' N ' ' A' ' 9' ' ' GLY . 4.5 pp -62.68 -35.22 78.97 Favored 'General case' 0 CA--C 1.518 -0.272 0 C-N-CA 119.31 -0.956 . . . . 0.0 109.116 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.709 ' N ' HD12 ' A' ' 8' ' ' LEU . . . -56.88 -45.96 91.13 Favored Glycine 0 C--N 1.331 0.287 0 N-CA-C 109.341 -1.503 . . . . 0.0 109.341 178.27 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.563 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 2.0 tmtm? -69.9 -36.33 75.32 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.067 0.461 . . . . 0.0 109.803 178.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.7 mm -74.57 -25.84 19.53 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.748 -179.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 8' ' ' LEU . 11.4 mt -54.9 -37.92 66.93 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -177.639 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.618 ' H ' ' CD ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -57.56 -33.49 68.2 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.186 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.449 ' H ' ' HG2' ' A' ' 14' ' ' LYS . 9.4 mmpt? -63.35 -42.34 98.91 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 178.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 38.2 mm -64.39 -43.64 97.06 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 178.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.89 -47.36 83.02 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 108.601 -0.888 . . . . 0.0 108.601 178.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.17 -41.32 92.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.13 178.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -66.72 -41.77 87.38 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.652 -0.703 . . . . 0.0 109.868 179.388 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.5 mtpm? -66.75 -49.79 64.84 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 179.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.401 0 O-C-N 120.099 -1.626 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . 0.499 ' HD2' ' SD ' ' A' ' 2' ' ' MET . 5.7 Cg_exo . . . . . 0 N--CA 1.481 0.749 0 N-CA-C 109.832 -0.872 . . . . 0.0 109.832 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . 0.499 ' SD ' ' HD2' ' A' ' 1' ' ' PRO . 0.0 OUTLIER -64.36 -32.07 73.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.619 -178.785 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.27 -32.8 57.12 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.014 -179.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 69.7 mtm180 -52.27 -47.83 65.6 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 119.984 -0.686 . . . . 0.0 109.904 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.528 ' HA ' HD21 ' A' ' 8' ' ' LEU . 9.6 t-20 -52.01 -39.55 59.65 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.02 -47.67 67.79 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.954 179.051 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 11.9 mm -66.94 -46.56 84.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.295 -179.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.54 HD12 ' N ' ' A' ' 9' ' ' GLY . 4.1 pp -66.99 -37.3 83.97 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.007 -0.677 . . . . 0.0 109.735 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.54 ' N ' HD12 ' A' ' 8' ' ' LEU . . . -61.51 -47.73 88.93 Favored Glycine 0 CA--C 1.519 0.302 0 N-CA-C 109.428 -1.469 . . . . 0.0 109.428 178.693 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -60.13 -41.29 92.36 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 179.668 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.7 mm -78.5 -28.48 14.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.511 -179.169 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 8' ' ' LEU . 7.7 mt -56.68 -47.67 79.35 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.311 -0.556 . . . . 0.0 111.738 -177.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.43 ' HG2' ' H ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -59.51 -27.49 66.21 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.0 mmtt -73.34 -36.56 66.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.456 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 50.4 mm -53.99 -43.49 58.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.82 -41.63 82.61 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.859 179.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.74 -40.16 42.0 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.008 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.578 ' CE1' ' CG ' ' A' ' 19' ' ' LYS . 0.5 OUTLIER -65.06 -44.86 87.59 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.248 -179.408 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.578 ' CG ' ' CE1' ' A' ' 18' ' ' PHE . 25.6 mmtm -133.44 62.94 1.64 Allowed 'General case' 0 C--O 1.235 0.307 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.042 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.553 0 O-C-N 120.09 -1.631 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo . . . . . 0 N--CA 1.477 0.504 0 N-CA-C 109.122 -1.145 . . . . 0.0 109.122 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.7 -26.21 13.26 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.817 -179.587 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.05 -32.36 61.83 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 179.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.481 ' NH1' ' OD1' ' A' ' 5' ' ' ASN . 1.3 ttp180 -51.7 -44.72 63.25 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 179.233 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.481 ' OD1' ' NH1' ' A' ' 4' ' ' ARG . 4.4 m120 -57.79 -43.44 85.62 Favored 'General case' 0 CA--C 1.519 -0.212 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 179.046 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.16 -40.5 82.33 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.009 178.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 16.4 mm -59.56 -48.19 88.22 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 C-N-CA 120.576 -0.449 . . . . 0.0 110.757 -179.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.695 HD12 ' N ' ' A' ' 9' ' ' GLY . 4.0 pp -70.08 -39.83 75.36 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.065 -0.654 . . . . 0.0 109.757 179.287 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.695 ' N ' HD12 ' A' ' 8' ' ' LEU . . . -55.78 -39.95 78.72 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.622 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.07 -39.17 86.78 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-O 120.953 0.406 . . . . 0.0 110.312 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 24.6 mm -58.93 -38.46 73.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.596 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 79.3 mt -58.38 -40.16 81.57 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.103 0.478 . . . . 0.0 111.035 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.463 ' HA ' ' NE ' ' A' ' 13' ' ' ARG . 1.6 mmm180 -57.88 -34.84 70.21 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.288 -179.701 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.2 mmpt? -59.01 -44.35 91.67 Favored 'General case' 0 CA--C 1.516 -0.363 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 179.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 25.6 mm -72.98 -48.61 43.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.165 -0.925 . . . . 0.0 109.344 178.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.41 -42.74 82.91 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.831 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.58 -40.16 92.43 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.897 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.83 -47.85 28.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.424 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.8 mtpm? -75.4 0.33 17.34 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.39 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.424 0 O-C-N 119.892 -1.755 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo . . . . . 0 N--CA 1.482 0.796 0 N-CA-C 109.657 -0.94 . . . . 0.0 109.657 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 3.7 mpp? -56.54 -30.2 62.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.04 -179.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.58 -43.46 76.0 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.06 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.28 -41.18 92.82 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 179.169 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.433 HD22 ' C ' ' A' ' 5' ' ' ASN . 0.3 OUTLIER -65.36 -42.38 92.82 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.654 179.11 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.28 -48.06 81.67 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.613 -179.607 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.409 HG21 HD13 ' A' ' 7' ' ' ILE . 20.0 pt -68.27 -32.81 57.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 179.549 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.7 tp -61.05 -45.55 94.31 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 178.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.431 ' O ' ' HB2' ' A' ' 12' ' ' LEU . . . -51.67 -34.04 35.36 Favored Glycine 0 CA--C 1.521 0.421 0 N-CA-C 110.026 -1.229 . . . . 0.0 110.026 179.681 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.405 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 5.1 tmmm? -59.16 -35.9 74.35 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.103 0.477 . . . . 0.0 109.828 179.565 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.8 mm -71.77 -28.83 31.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.372 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.434 ' HA ' ' HB ' ' A' ' 15' ' ' ILE . 3.9 mm? -58.17 -42.98 87.21 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-O 120.878 0.371 . . . . 0.0 110.8 -179.237 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.425 ' HG2' ' H ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -56.81 -38.64 72.86 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 -179.758 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.3 mmtt -73.05 -45.42 57.6 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 178.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.434 ' HB ' ' HA ' ' A' ' 12' ' ' LEU . 3.4 mm -57.62 -43.56 83.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.034 -0.984 . . . . 0.0 109.281 179.001 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.59 -47.53 79.37 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.289 -0.414 . . . . 0.0 109.927 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.26 -42.56 96.42 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 179.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -66.33 -47.75 72.48 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.9 179.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.5 tptm -68.11 62.22 0.08 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.089 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.541 0 O-C-N 119.875 -1.766 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_exo . . . . . 0 N--CA 1.481 0.765 0 N-CA-C 109.551 -0.98 . . . . 0.0 109.551 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . 0.412 ' N ' ' SD ' ' A' ' 2' ' ' MET . 1.8 mpt? -52.63 -42.16 64.38 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.053 -179.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.97 -46.12 75.58 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 178.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.428 ' O ' ' N ' ' A' ' 8' ' ' LEU . 18.9 tpp85 -57.64 -43.59 85.0 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.485 -0.78 . . . . 0.0 108.929 178.65 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -49.68 -46.47 49.97 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 178.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.9 tmtm? -67.13 -47.98 69.45 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 179.054 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 22.2 mt -59.12 -39.0 77.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 179.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 4' ' ' ARG . 12.1 tp -56.65 -44.28 81.15 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.246 -0.649 . . . . 0.0 109.246 179.075 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -54.39 -35.22 55.59 Favored Glycine 0 N--CA 1.453 -0.216 0 N-CA-C 109.452 -1.459 . . . . 0.0 109.452 179.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.17 -38.13 79.03 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 179.186 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 28.9 mm -73.62 -32.98 37.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.246 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.444 ' HA ' HD23 ' A' ' 12' ' ' LEU . 39.3 mt -58.13 -42.73 86.46 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.411 -0.516 . . . . 0.0 110.373 -179.573 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.442 ' HG2' ' H ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -58.08 -29.25 65.29 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 178.773 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.09 -44.3 63.47 Favored 'General case' 0 CA--C 1.518 -0.278 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 178.306 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.3 mm -55.21 -43.17 69.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 179.071 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.17 -47.16 84.25 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 178.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.02 -39.21 90.03 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.422 179.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.45 ' CD2' ' C ' ' A' ' 18' ' ' PHE . 0.2 OUTLIER -65.79 -46.42 78.74 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 178.944 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 48.3 mmtt -74.45 54.84 0.6 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.831 178.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.47 0 O-C-N 119.972 -1.705 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo . . . . . 0 N--CA 1.48 0.68 0 N-CA-C 110.25 -0.711 . . . . 0.0 110.25 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 11.7 mmm -52.51 -45.39 66.23 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 121.014 -0.274 . . . . 0.0 110.973 -179.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.29 -47.07 82.43 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.576 -0.528 . . . . 0.0 109.576 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 19.6 tpp180 -66.8 -46.01 76.56 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 178.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.409 ' HA ' ' CD2' ' A' ' 8' ' ' LEU . 41.8 t30 -50.53 -46.04 57.16 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.743 179.102 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.6 mmtp -66.94 -43.53 82.99 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.802 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 79.8 mt -71.04 -44.93 74.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.389 -178.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.701 ' C ' HD12 ' A' ' 8' ' ' LEU . 1.4 pp -59.78 -31.61 69.84 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 119.841 -0.744 . . . . 0.0 109.812 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -54.51 -37.91 61.74 Favored Glycine 0 CA--C 1.521 0.426 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 178.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.444 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -66.47 -37.98 86.32 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 178.53 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.433 ' HA ' ' CG ' ' A' ' 14' ' ' LYS . 15.1 mm -65.48 -28.66 44.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.468 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 12' ' ' LEU . 89.3 mt -58.31 -47.28 84.2 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 120.052 -0.659 . . . . 0.0 110.04 -179.53 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.4 ' HG2' ' O ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -58.84 -29.79 67.19 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 178.735 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.444 ' HG2' ' O ' ' A' ' 10' ' ' LYS . 3.1 mmtt -71.22 -36.88 72.01 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.611 178.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.8 mm -54.99 -40.61 54.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 179.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.412 ' O ' ' N ' ' A' ' 20' ' ' NH2 . . . -62.36 -39.0 91.7 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 178.23 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.35 -44.64 87.06 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 178.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.64 -48.41 72.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.003 179.357 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.8 mttm -78.3 -7.17 56.92 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.488 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . 0.412 ' N ' ' O ' ' A' ' 16' ' ' ALA . . . . . . . . 0 C--N 1.3 -1.58 0 O-C-N 119.782 -1.824 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_exo . . . . . 0 N--CA 1.486 1.046 0 N-CA-C 109.081 -1.161 . . . . 0.0 109.081 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 3.4 mtt -53.0 -35.58 59.53 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.787 -179.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -56.4 -46.95 79.93 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.333 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.411 ' HA ' HG12 ' A' ' 7' ' ' ILE . 5.5 mtp85 -62.2 -46.46 88.79 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 179.109 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.411 ' HA ' HD21 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -55.1 -40.01 69.96 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.606 -0.724 . . . . 0.0 109.736 178.721 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.2 mmtm -67.6 -49.12 64.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.496 -179.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.411 HG12 ' HA ' ' A' ' 4' ' ' ARG . 13.4 pt -70.22 -45.1 76.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 120.597 -0.441 . . . . 0.0 111.836 -178.542 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.582 ' C ' HD12 ' A' ' 8' ' ' LEU . 3.7 pp -59.87 -38.51 82.38 Favored 'General case' 0 C--O 1.232 0.172 0 C-N-CA 119.134 -1.027 . . . . 0.0 108.996 179.615 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.569 ' N ' HD12 ' A' ' 8' ' ' LEU . . . -57.5 -44.75 93.63 Favored Glycine 0 C--N 1.33 0.244 0 N-CA-C 110.087 -1.205 . . . . 0.0 110.087 178.427 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.401 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 1.6 tmtp? -59.5 -37.9 79.49 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 178.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.434 ' O ' HG12 ' A' ' 15' ' ' ILE . 11.1 mm -75.05 -32.61 27.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.901 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.427 ' HA ' HD23 ' A' ' 12' ' ' LEU . 17.4 mt -56.97 -43.94 82.13 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -178.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.445 ' HB2' ' HE2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -56.79 -34.29 67.51 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.445 ' HE2' ' HB2' ' A' ' 13' ' ' ARG . 6.9 mmtt -72.85 -46.39 53.17 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 178.472 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.434 HG12 ' O ' ' A' ' 11' ' ' ILE . 28.5 mm -56.8 -43.8 80.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.387 179.03 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 20' ' ' NH2 . . . -57.58 -45.44 85.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.724 179.272 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.2 -42.57 68.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.807 179.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -64.38 -42.76 95.98 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.053 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.9 mtpm? -82.83 -31.4 28.1 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.127 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . 0.423 ' N ' ' O ' ' A' ' 16' ' ' ALA . . . . . . . . 0 C--N 1.3 -1.567 0 O-C-N 120.09 -1.631 . . . . 0.0 . . . . . . . . . . 1 1 . 1 stop_ save_