data_1hf9_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 1hf9 _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' 13' ' ' HIS . . . . . 0.432 ' CB ' ' HB ' ' B' ' 31' ' ' ILE . 8.3 m-70 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.786 0.327 . . . . 0.0 110.207 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.454 ' N ' HD12 ' B' ' 31' ' ' ILE . . . -68.49 -54.94 13.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.491 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.416 ' O ' ' CB ' ' A' ' 19' ' ' ARG . 7.1 mttm -67.04 -14.01 62.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.73 179.273 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.413 ' O ' ' CG ' ' A' ' 20' ' ' LEU . 1.3 mm-40 -84.49 -36.83 21.98 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.212 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.404 HG13 ' CB ' ' B' ' 28' ' ' LYS . 0.0 OUTLIER -78.18 -31.7 16.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.945 0.402 . . . . 0.0 110.463 179.654 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.404 ' N ' HG21 ' A' ' 17' ' ' ILE . 1.7 mt-10 -80.62 -39.29 27.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.358 179.268 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.416 ' CB ' ' O ' ' A' ' 15' ' ' LYS . 15.2 ttp180 -74.33 -28.17 61.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.308 179.572 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.477 ' CD1' ' CD2' ' B' ' 27' ' ' HIS . 13.6 mt -73.81 -40.73 63.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.099 179.515 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -62.74 -42.69 99.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.598 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.4 ttpt -64.43 -38.02 89.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.698 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -64.55 -38.56 91.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.209 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.433 ' CG2' ' HB3' ' B' ' 20' ' ' LEU . 0.5 OUTLIER -64.41 -40.46 89.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.928 0.394 . . . . 0.0 110.264 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.423 ' N ' HG13 ' A' ' 24' ' ' ILE . 1.0 OUTLIER -58.8 -44.55 90.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.463 179.743 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.48 -49.29 72.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.268 179.552 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.481 ' CD2' ' CD1' ' B' ' 20' ' ' LEU . 4.7 m-70 -64.53 -24.73 67.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.576 179.503 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.444 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 4.1 ttpt -77.13 -26.0 52.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.785 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -78.74 -35.3 44.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.746 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 13.1 p -74.52 -36.05 63.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.862 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.446 HD12 ' N ' ' B' ' 14' ' ' ALA . 4.7 tp -77.31 -28.99 16.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.69 -31.62 41.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.76 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.689 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 9.7 p . . . . . 0 C--O 1.233 0.192 0 CA-C-O 120.797 0.332 . . . . 0.0 110.806 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.578 ' CD2' ' CE1' ' B' ' 13' ' ' HIS . 0.0 OUTLIER -71.77 -44.11 64.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.37 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . 0.578 ' CE1' ' CD2' ' B' ' 12' ' ' HIS . 8.3 m-70 -62.84 -27.27 69.21 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.839 0.352 . . . . 0.0 110.275 179.388 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . 0.446 ' N ' HD12 ' A' ' 31' ' ' ILE . . . -68.47 -54.91 13.85 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.478 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . 0.419 ' O ' ' CB ' ' B' ' 19' ' ' ARG . 7.2 mttm -67.09 -13.91 62.39 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.747 179.214 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.416 ' O ' ' CG ' ' B' ' 20' ' ' LEU . 1.3 mm-40 -84.68 -36.52 21.84 Favored 'General case' 0 N--CA 1.457 -0.076 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.244 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.4 HG13 ' CB ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -78.47 -31.59 15.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.882 0.373 . . . . 0.0 110.428 179.615 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -80.92 -39.19 26.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.389 179.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . 0.419 ' CB ' ' O ' ' B' ' 15' ' ' LYS . 15.1 ttp180 -74.22 -28.72 61.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.343 179.478 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.481 ' CD1' ' CD2' ' A' ' 27' ' ' HIS . 13.4 mt -73.0 -41.54 64.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.1 179.374 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -61.86 -42.88 99.59 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.667 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 7.4 ttpt -64.34 -37.69 88.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.736 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -64.96 -38.1 89.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.179 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . 0.43 ' CG2' ' HB3' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -64.78 -40.37 88.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.043 0.449 . . . . 0.0 110.249 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . 0.427 ' N ' HG13 ' B' ' 24' ' ' ILE . 1.0 OUTLIER -59.02 -44.41 91.71 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.48 179.701 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.52 -49.28 73.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.274 179.555 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . 0.477 ' CD2' ' CD1' ' A' ' 20' ' ' LEU . 4.7 m-70 -64.56 -24.73 67.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.584 179.49 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.44 ' HA ' ' CG2' ' B' ' 31' ' ' ILE . 4.0 ttpt -77.07 -26.0 52.97 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.832 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -78.76 -35.24 44.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.778 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 13.0 p -74.52 -36.02 63.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . 0.454 HD12 ' N ' ' A' ' 14' ' ' ALA . 4.6 tp . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.432 ' HB2' ' CG1' ' B' ' 31' ' ' ILE . 17.3 m-70 . . . . . 0 N--CA 1.457 -0.116 0 CA-C-O 120.876 0.369 . . . . 0.0 110.133 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.445 ' N ' HG13 ' B' ' 31' ' ' ILE . . . -64.66 -51.83 60.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.474 179.712 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.0 mttm -64.66 -21.25 66.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.503 179.23 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.474 ' HB3' ' CE1' ' B' ' 27' ' ' HIS . 9.5 mm-40 -77.35 -35.95 54.19 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.147 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.436 HG13 ' N ' ' A' ' 18' ' ' GLU . 1.0 OUTLIER -72.59 -35.39 50.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.826 0.346 . . . . 0.0 110.941 -179.929 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.436 ' N ' HG13 ' A' ' 17' ' ' ILE . 58.6 mt-10 -75.27 -38.94 60.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.552 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.71 -34.26 75.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.552 179.732 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.467 ' CD2' ' CD2' ' B' ' 20' ' ' LEU . 0.5 OUTLIER -66.61 -44.86 80.93 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.035 179.475 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -56.58 -44.79 81.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.815 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -61.57 -35.61 78.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.725 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -65.93 -39.26 90.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.155 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.435 ' CG2' ' HB3' ' B' ' 20' ' ' LEU . 0.5 OUTLIER -62.9 -40.91 90.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.989 0.423 . . . . 0.0 110.147 179.885 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.425 ' N ' HG13 ' A' ' 24' ' ' ILE . 0.2 OUTLIER -60.37 -41.56 93.97 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.387 179.561 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.1 mmt180 -56.03 -44.97 79.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.014 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.461 ' CE1' ' HB3' ' B' ' 16' ' ' GLU . 0.2 OUTLIER -65.69 -28.16 68.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.087 179.37 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.42 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 1.9 ttpt -74.78 -23.45 58.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.852 179.642 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.41 ' HA ' ' CG ' ' A' ' 32' ' ' LYS . 36.7 tt0 -80.81 -34.41 34.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.757 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.86 -36.4 56.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.576 179.698 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.442 HG13 ' N ' ' B' ' 14' ' ' ALA . 0.0 OUTLIER -77.8 -33.85 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.862 179.681 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.41 ' CG ' ' HA ' ' A' ' 29' ' ' GLN . 0.0 OUTLIER -77.19 -29.77 54.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.456 179.543 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.348 179.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.92 0.391 . . . . 0.0 110.762 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.576 ' CD2' ' CE1' ' B' ' 13' ' ' HIS . 0.0 OUTLIER -71.56 -44.19 64.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.243 179.859 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . 0.576 ' CE1' ' CD2' ' B' ' 12' ' ' HIS . 17.1 m-70 -64.03 -30.06 71.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.833 0.349 . . . . 0.0 110.1 179.478 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . 0.442 ' N ' HG13 ' A' ' 31' ' ' ILE . . . -65.01 -51.8 59.65 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.441 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 4.9 mttm -64.33 -21.65 66.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.449 179.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.461 ' HB3' ' CE1' ' A' ' 27' ' ' HIS . 9.5 mm-40 -76.71 -37.06 56.73 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.142 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.431 HG13 ' N ' ' B' ' 18' ' ' GLU . 1.0 OUTLIER -71.5 -35.56 57.11 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 CA-C-O 120.901 0.381 . . . . 0.0 111.045 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.431 ' N ' HG13 ' B' ' 17' ' ' ILE . 63.2 mt-10 -74.34 -39.24 62.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.69 179.633 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.23 -32.32 71.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.614 179.772 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.467 ' CD2' ' CD2' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -69.79 -39.5 76.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.344 179.596 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -61.85 -43.53 98.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.541 179.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -63.11 -36.19 82.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.683 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -65.36 -39.36 92.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.15 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . 0.426 HG13 ' N ' ' B' ' 25' ' ' GLU . 0.5 OUTLIER -62.65 -41.24 91.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.027 0.441 . . . . 0.0 110.015 179.91 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . 0.426 ' N ' HG13 ' B' ' 24' ' ' ILE . 0.2 OUTLIER -60.33 -41.33 93.31 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.351 179.589 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -56.05 -45.18 79.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.08 179.467 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . 0.474 ' CE1' ' HB3' ' A' ' 16' ' ' GLU . 0.2 OUTLIER -65.31 -28.0 69.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.157 179.274 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.412 ' HA ' ' CG2' ' B' ' 31' ' ' ILE . 2.0 ttpt -74.86 -23.86 58.48 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.79 179.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -80.51 -34.14 35.87 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.751 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 3.8 m -76.99 -36.46 56.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.61 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . 0.445 HG13 ' N ' ' A' ' 14' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.818 179.725 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.428 ' CB ' ' HB ' ' B' ' 31' ' ' ILE . 10.8 m-70 . . . . . 0 N--CA 1.458 -0.055 0 CA-C-O 120.7 0.286 . . . . 0.0 110.241 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.447 ' N ' HD12 ' B' ' 31' ' ' ILE . . . -70.96 -54.1 12.52 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.351 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.409 ' O ' ' CB ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -69.01 -15.51 63.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.669 179.141 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.416 ' O ' ' CG ' ' A' ' 20' ' ' LEU . 6.6 mm-40 -84.26 -34.54 23.79 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.973 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.426 HG13 ' CB ' ' B' ' 28' ' ' LYS . 0.0 OUTLIER -77.09 -35.54 23.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.901 0.381 . . . . 0.0 110.451 179.668 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.8 -38.95 37.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.362 179.308 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.409 ' CB ' ' O ' ' A' ' 15' ' ' LYS . 3.7 ttt180 -74.0 -26.99 60.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.423 179.588 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.426 ' HB3' ' CG2' ' B' ' 24' ' ' ILE . 10.2 mt -73.2 -42.12 63.04 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.103 179.379 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -61.38 -44.6 96.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.653 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.07 -35.74 81.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.711 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.405 ' OE2' ' CZ ' ' A' ' 19' ' ' ARG . 3.4 mt-10 -66.45 -36.32 82.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.158 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.427 ' CG2' ' HB3' ' B' ' 20' ' ' LEU . 0.5 OUTLIER -65.89 -41.53 90.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.99 0.424 . . . . 0.0 110.159 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.418 ' N ' HG13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -58.74 -44.18 90.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.441 179.701 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.76 -49.32 73.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.268 179.601 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -62.99 -25.34 68.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.561 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.441 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 0.0 OUTLIER -75.12 -30.38 60.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.902 179.923 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -75.03 -34.66 61.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.746 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.59 -40.64 61.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.453 HD12 ' N ' ' B' ' 14' ' ' ALA . 4.0 tp -74.22 -26.08 20.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.87 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt -79.07 -36.39 40.91 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.745 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.736 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 3.2 t . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.828 0.347 . . . . 0.0 111.059 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.577 ' CD2' ' CE1' ' B' ' 13' ' ' HIS . 0.0 OUTLIER -75.0 -43.33 54.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.426 -179.897 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . 0.577 ' CE1' ' CD2' ' B' ' 12' ' ' HIS . 10.8 m-70 -65.3 -25.72 67.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.755 0.312 . . . . 0.0 110.318 179.42 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . 0.453 ' N ' HD12 ' A' ' 31' ' ' ILE . . . -70.97 -54.05 12.69 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.441 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . 0.411 ' O ' ' CB ' ' B' ' 19' ' ' ARG . 0.0 OUTLIER -69.03 -15.62 63.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.635 179.1 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.422 ' O ' ' CG ' ' B' ' 20' ' ' LEU . 6.6 mm-40 -84.18 -34.56 23.95 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.994 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.421 HG13 ' CB ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -77.03 -35.54 23.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.884 0.373 . . . . 0.0 110.477 179.626 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.94 -38.84 36.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.312 179.401 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . 0.412 ' CZ ' ' OE2' ' B' ' 23' ' ' GLU . 3.7 ttt180 -73.94 -27.04 60.82 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.444 179.531 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.427 ' HB3' ' CG2' ' A' ' 24' ' ' ILE . 10.2 mt -73.17 -42.21 63.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.058 179.426 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -61.29 -44.73 96.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.653 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.91 -35.75 81.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.77 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . 0.412 ' OE2' ' CZ ' ' B' ' 19' ' ' ARG . 3.4 mt-10 -66.5 -36.31 82.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.142 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . 0.426 ' CG2' ' HB3' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -65.86 -41.56 90.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.99 0.424 . . . . 0.0 110.159 179.919 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . 0.421 ' N ' HG13 ' B' ' 24' ' ' ILE . 0.0 OUTLIER -58.75 -44.07 90.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.54 179.727 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.8 -49.39 73.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.261 179.546 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -62.89 -25.33 68.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.644 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.443 ' HA ' ' CG2' ' B' ' 31' ' ' ILE . 0.0 OUTLIER -75.17 -30.31 60.66 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.886 179.906 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -75.12 -34.6 61.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.734 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.59 -40.54 61.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.933 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . 0.447 HD12 ' N ' ' A' ' 14' ' ' ALA . 4.0 tp . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.806 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.426 ' CB ' ' HB ' ' B' ' 31' ' ' ILE . 7.8 m-70 . . . . . 0 CA--C 1.522 -0.128 0 N-CA-C 110.167 -0.309 . . . . 0.0 110.167 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.451 ' N ' HD12 ' B' ' 31' ' ' ILE . . . -70.48 -56.23 7.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.411 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.04 -13.1 62.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.494 178.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.471 ' HG2' ' CE1' ' B' ' 27' ' ' HIS . 7.1 tp10 -86.05 -32.13 21.58 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.775 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.437 HG13 ' CB ' ' B' ' 28' ' ' LYS . 0.0 OUTLIER -77.22 -37.81 26.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 120.842 0.353 . . . . 0.0 110.415 179.523 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.407 ' N ' HG21 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -76.36 -37.86 56.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.444 179.285 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.24 -29.71 62.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.648 179.732 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.439 ' HB3' ' CG2' ' B' ' 24' ' ' ILE . 1.9 mm? -71.9 -39.1 69.77 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.016 179.52 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -62.03 -47.45 84.68 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.538 179.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.82 -33.48 75.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.64 179.724 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -67.23 -36.39 81.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.011 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.44 ' CG2' ' HB3' ' B' ' 20' ' ' LEU . 0.5 OUTLIER -65.82 -41.13 89.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.007 0.432 . . . . 0.0 110.079 179.872 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.421 ' N ' HG13 ' A' ' 24' ' ' ILE . 1.1 tp10 -59.28 -43.11 92.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.465 179.598 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.6 ttm180 -55.84 -50.74 69.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.125 179.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.483 ' CE1' ' HG2' ' B' ' 16' ' ' GLU . 4.0 m-70 -62.32 -24.87 67.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.387 179.308 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.433 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 2.2 ttpp -74.25 -29.93 61.91 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.648 179.633 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -76.06 -31.8 58.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.796 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.7 m -77.0 -39.09 51.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.436 ' HB ' ' CB ' ' B' ' 13' ' ' HIS . 3.1 tp -75.71 -28.93 19.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.711 179.77 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.87 -34.32 39.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.868 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.9 tttt . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.665 179.846 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 2.7 m . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.78 0.324 . . . . 0.0 110.827 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.569 ' CD2' ' CE1' ' B' ' 13' ' ' HIS . 0.0 OUTLIER -78.2 -40.55 37.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.487 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . 0.569 ' CE1' ' CD2' ' B' ' 12' ' ' HIS . 7.8 m-70 -67.04 -27.51 67.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.851 0.357 . . . . 0.0 110.18 179.332 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . 0.436 ' N ' HD11 ' A' ' 31' ' ' ILE . . . -70.85 -55.55 8.24 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.333 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.5 -13.36 62.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.468 178.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.483 ' HG2' ' CE1' ' A' ' 27' ' ' HIS . 7.1 tp10 -85.81 -31.91 22.06 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.789 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.432 HG13 ' CB ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -77.05 -38.01 27.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.843 0.354 . . . . 0.0 110.365 179.555 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.419 ' N ' HG21 ' B' ' 17' ' ' ILE . 0.0 OUTLIER -76.34 -37.83 56.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.34 179.448 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.19 -29.69 63.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.691 179.686 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.44 ' HB3' ' CG2' ' A' ' 24' ' ' ILE . 1.9 mm? -71.88 -39.11 69.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.308 -0.406 . . . . 0.0 109.999 179.499 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -62.14 -47.42 84.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.487 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.0 -33.26 75.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.625 179.728 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -67.42 -36.35 81.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.969 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . 0.439 ' CG2' ' HB3' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -65.8 -41.16 89.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.026 0.441 . . . . 0.0 110.045 179.847 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . 0.423 ' N ' HG13 ' B' ' 24' ' ' ILE . 1.1 tp10 -59.32 -43.05 92.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.462 179.584 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 8.5 ttm180 -55.75 -50.59 69.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.176 179.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . 0.471 ' CE1' ' HG2' ' A' ' 16' ' ' GLU . 3.9 m-70 -62.6 -24.83 67.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.357 179.311 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.437 ' CB ' HG13 ' A' ' 17' ' ' ILE . 2.1 ttpp -74.36 -29.65 61.66 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.655 179.626 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -76.28 -32.27 58.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.82 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 4.6 m -76.62 -38.79 54.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . 0.451 HD12 ' N ' ' A' ' 14' ' ' ALA . 3.6 tp . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.772 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.439 ' CB ' ' HB ' ' B' ' 31' ' ' ILE . 9.9 m-70 . . . . . 0 CA--C 1.522 -0.12 0 CA-C-O 120.866 0.365 . . . . 0.0 110.142 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.434 ' N ' HD11 ' B' ' 31' ' ' ILE . . . -65.17 -54.78 24.44 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.421 179.768 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.403 ' O ' ' CG ' ' A' ' 19' ' ' ARG . 9.0 mtmt -66.7 -16.42 64.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.677 179.166 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.4 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 1.6 mm-40 -81.87 -33.36 30.6 Favored 'General case' 0 N--CA 1.456 -0.125 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.272 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.434 ' CD1' ' HB2' ' B' ' 28' ' ' LYS . 2.7 tt -79.18 -33.69 15.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 120.893 0.378 . . . . 0.0 110.517 179.75 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -78.75 -36.46 43.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.469 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.403 ' CG ' ' O ' ' A' ' 15' ' ' LYS . 1.4 mmm-85 -74.97 -33.61 61.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.737 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.444 ' HB3' ' CG2' ' B' ' 24' ' ' ILE . 2.1 mm? -72.37 -35.67 68.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.148 179.497 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -64.35 -45.3 88.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.519 179.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.09 -36.91 85.16 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.645 179.708 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.6 tp10 -63.94 -40.98 97.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.03 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.439 ' CG2' ' HB3' ' B' ' 20' ' ' LEU . 0.6 OUTLIER -62.61 -38.67 82.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 121.027 0.442 . . . . 0.0 110.129 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.422 ' N ' HG13 ' A' ' 24' ' ' ILE . 2.1 tp10 -59.12 -44.69 92.03 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.493 179.705 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.7 ttt180 -55.35 -49.5 72.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.126 179.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -63.24 -25.99 68.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.372 179.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.439 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 20.6 ttmm -75.47 -26.37 58.16 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.783 179.718 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -77.39 -34.72 54.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.692 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.1 m -75.42 -40.39 57.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.754 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.442 ' HB ' ' CB ' ' B' ' 13' ' ' HIS . 3.5 tp -76.87 -27.38 16.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -82.49 -28.57 31.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.769 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.6 tttt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.645 179.791 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 6.2 t . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.868 0.366 . . . . 0.0 110.722 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.564 ' CD2' ' CE1' ' B' ' 13' ' ' HIS . 0.0 OUTLIER -75.27 -45.56 39.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.292 179.912 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . 0.564 ' CE1' ' CD2' ' B' ' 12' ' ' HIS . 10.0 m-70 -62.53 -30.53 71.36 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 179.352 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . 0.437 ' CB ' HD12 ' A' ' 31' ' ' ILE . . . -65.63 -55.62 16.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.357 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . 0.421 ' O ' ' CG ' ' B' ' 19' ' ' ARG . 9.4 mtmt -66.38 -15.94 63.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.616 179.171 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -82.21 -33.88 29.17 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.218 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.424 HD13 ' CE ' ' A' ' 28' ' ' LYS . 2.7 tt -79.16 -33.39 15.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.838 0.352 . . . . 0.0 110.501 179.627 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -78.84 -36.44 42.42 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.546 179.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . 0.421 ' CG ' ' O ' ' B' ' 15' ' ' LYS . 1.6 mmm-85 -75.0 -33.51 61.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.675 179.727 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.439 ' HB3' ' CG2' ' A' ' 24' ' ' ILE . 2.2 mm? -72.35 -35.74 68.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.054 179.619 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -64.29 -45.51 87.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.529 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.88 -37.04 85.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.604 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 -63.82 -41.04 97.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.986 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . 0.444 ' CG2' ' HB3' ' A' ' 20' ' ' LEU . 0.6 OUTLIER -62.46 -38.7 82.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.029 0.442 . . . . 0.0 110.158 179.864 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . 0.421 ' N ' HG13 ' B' ' 24' ' ' ILE . 2.1 tp10 -59.04 -44.92 91.83 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.515 179.718 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 18.5 ttt180 -55.16 -49.56 71.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.187 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -63.13 -26.14 68.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.414 179.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.436 ' HA ' ' CG2' ' B' ' 31' ' ' ILE . 20.7 ttmm -75.34 -26.43 58.57 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.712 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -77.39 -34.25 54.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.668 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 3.1 m -75.79 -40.47 55.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.82 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . 0.439 ' HB ' ' CB ' ' A' ' 13' ' ' HIS . 3.0 tp . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.797 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.427 ' CB ' ' HB ' ' B' ' 31' ' ' ILE . 10.5 m-70 . . . . . 0 CA--C 1.522 -0.103 0 CA-C-O 120.83 0.347 . . . . 0.0 110.269 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.443 ' N ' HD12 ' B' ' 31' ' ' ILE . . . -69.88 -55.2 10.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.371 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.415 ' O ' ' CB ' ' A' ' 19' ' ' ARG . 2.1 mttp -68.17 -14.7 63.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.593 179.055 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.418 ' O ' ' CG ' ' A' ' 20' ' ' LEU . 8.1 mm-40 -84.55 -34.65 23.2 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.122 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.429 HG13 ' CB ' ' B' ' 28' ' ' LYS . 0.0 OUTLIER -78.29 -34.16 18.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.841 0.353 . . . . 0.0 110.35 179.601 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.28 -39.19 33.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.32 179.369 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.415 ' CB ' ' O ' ' A' ' 15' ' ' LYS . 0.7 OUTLIER -73.86 -29.02 61.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.475 179.632 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.459 ' CD1' ' CD2' ' B' ' 27' ' ' HIS . 12.9 mt -72.77 -39.89 66.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.048 179.393 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -61.91 -45.35 94.11 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.684 179.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.37 -36.93 85.33 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.721 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.59 -38.18 90.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.126 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.431 ' CG2' ' HB3' ' B' ' 20' ' ' LEU . 0.5 OUTLIER -65.14 -39.88 86.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.072 0.463 . . . . 0.0 110.23 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.424 ' N ' HG13 ' A' ' 24' ' ' ILE . 1.5 tp10 -58.57 -44.45 89.73 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.494 179.671 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.5 -49.86 73.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.35 179.627 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.468 ' CD2' ' CD1' ' B' ' 20' ' ' LEU . 2.6 m-70 -62.99 -25.05 68.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.462 179.531 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.441 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 8.3 ttpt -77.84 -26.18 49.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.83 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -76.37 -36.03 58.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.829 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.2 m -73.69 -41.13 63.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.681 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.446 ' HB ' ' CB ' ' B' ' 13' ' ' HIS . 5.0 tp -71.87 -27.28 27.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.222 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.69 -36.4 37.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.025 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.0 ttmt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.774 179.968 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.767 0.318 . . . . 0.0 111.053 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.569 ' CD2' ' CE1' ' B' ' 13' ' ' HIS . 0.0 OUTLIER -76.83 -44.73 31.23 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.405 -179.815 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . 0.569 ' CE1' ' CD2' ' B' ' 12' ' ' HIS . 10.6 m-70 -64.99 -26.2 68.19 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.246 179.313 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . 0.442 ' N ' HD11 ' A' ' 31' ' ' ILE . . . -70.31 -54.75 11.32 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.432 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . 0.4 ' O ' ' CB ' ' B' ' 19' ' ' ARG . 2.0 mttp -68.33 -15.03 63.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.635 179.034 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.419 ' O ' ' CG ' ' B' ' 20' ' ' LEU . 8.1 mm-40 -84.26 -34.85 23.74 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.039 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.429 HG13 ' CB ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -77.74 -34.6 20.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.926 0.393 . . . . 0.0 110.444 179.597 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.8 -39.21 36.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.422 179.334 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . 0.4 ' CB ' ' O ' ' B' ' 15' ' ' LYS . 0.8 OUTLIER -74.07 -28.32 61.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.51 179.657 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.468 ' CD1' ' CD2' ' A' ' 27' ' ' HIS . 13.0 mt -73.6 -39.29 64.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.045 179.472 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -62.59 -45.18 94.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.58 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.48 -37.03 85.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.731 179.763 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.36 -38.6 91.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.119 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . 0.434 ' CG2' ' HB3' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -64.78 -39.91 87.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.938 0.399 . . . . 0.0 110.178 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . 0.426 ' N ' HG13 ' B' ' 24' ' ' ILE . 1.4 tp10 -58.53 -44.41 89.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.544 179.72 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.45 -50.02 72.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.33 179.564 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . 0.459 ' CD2' ' CD1' ' A' ' 20' ' ' LEU . 2.7 m-70 -62.95 -24.96 68.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.519 179.464 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.44 ' HA ' ' CG2' ' B' ' 31' ' ' ILE . 8.2 ttpt -77.93 -26.14 48.74 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.772 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -76.57 -36.26 57.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.772 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 1.2 m -73.44 -41.03 63.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.715 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . 0.443 HD12 ' N ' ' A' ' 14' ' ' ALA . 5.4 tp . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.221 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.422 ' HB3' ' HB ' ' B' ' 31' ' ' ILE . 13.2 m-70 . . . . . 0 CA--C 1.52 -0.191 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.439 ' N ' HG13 ' B' ' 31' ' ' ILE . . . -64.75 -57.16 9.7 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.172 179.625 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp -62.28 -17.79 59.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.324 178.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.42 ' O ' ' CD2' ' A' ' 20' ' ' LEU . 31.9 tt0 -80.33 -34.48 36.65 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.973 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.436 HG13 ' N ' ' A' ' 18' ' ' GLU . 1.1 pp -72.57 -35.08 49.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.974 0.416 . . . . 0.0 110.619 179.784 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.436 ' N ' HG13 ' A' ' 17' ' ' ILE . 0.8 OUTLIER -75.19 -44.42 46.61 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.533 179.586 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -70.17 -24.63 63.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.481 179.513 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.437 ' HB3' ' CG2' ' B' ' 24' ' ' ILE . 1.4 mm? -71.14 -43.6 67.23 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.045 179.305 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.99 -50.54 73.34 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.404 179.446 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.6 -25.74 68.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.669 179.613 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -74.67 -31.51 61.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.934 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.449 ' CG2' ' HB3' ' B' ' 20' ' ' LEU . 0.5 OUTLIER -69.9 -42.67 79.84 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 CA-C-O 121.087 0.47 . . . . 0.0 110.057 179.837 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.421 ' N ' HG13 ' A' ' 24' ' ' ILE . 0.4 OUTLIER -63.29 -43.77 96.93 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.421 179.53 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -58.63 -37.38 75.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.311 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -68.8 -28.91 67.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.221 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.401 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 4.0 ttpt -72.41 -28.7 63.15 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.745 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.6 -35.62 52.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.801 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.1 m -75.34 -33.1 61.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.96 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.438 HG13 ' N ' ' B' ' 14' ' ' ALA . 0.0 OUTLIER -76.68 -31.6 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.974 179.898 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -76.96 -36.3 56.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.658 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.658 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.875 0.369 . . . . 0.0 110.789 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -75.36 -38.35 60.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.097 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . 0.428 ' HB3' ' HB ' ' A' ' 31' ' ' ILE . 12.9 m-70 -65.33 -32.49 74.16 Favored 'General case' 0 CA--C 1.52 -0.197 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 179.097 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . 0.438 ' N ' HG13 ' A' ' 31' ' ' ILE . . . -64.73 -57.17 9.7 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.253 179.676 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 3.6 mmtp -62.19 -17.67 58.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.384 178.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.423 ' O ' ' CD2' ' B' ' 20' ' ' LEU . 31.8 tt0 -80.3 -34.83 36.51 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.023 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.43 HG13 ' N ' ' B' ' 18' ' ' GLU . 1.1 pp -72.18 -35.14 52.05 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 CA-C-O 120.963 0.411 . . . . 0.0 110.668 179.704 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.43 ' N ' HG13 ' B' ' 17' ' ' ILE . 0.8 OUTLIER -74.76 -44.83 47.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.452 179.525 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -69.85 -24.31 63.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.465 179.529 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.449 ' HB3' ' CG2' ' A' ' 24' ' ' ILE . 1.4 mm? -71.65 -42.74 67.19 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.115 179.345 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.65 -50.28 74.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.439 179.231 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.15 -25.43 68.08 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.641 179.591 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -74.7 -32.08 62.06 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.962 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . 0.437 ' CG2' ' HB3' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -69.66 -42.65 80.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.046 0.45 . . . . 0.0 110.009 179.803 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . 0.42 ' N ' HG13 ' B' ' 24' ' ' ILE . 0.4 OUTLIER -63.02 -44.05 97.02 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.476 179.573 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -58.54 -37.51 75.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.304 179.472 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -68.74 -28.84 67.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.333 179.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 4.0 ttpt -72.47 -28.8 63.14 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.694 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.36 -35.75 54.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.864 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -75.24 -33.17 61.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . 0.439 HG13 ' N ' ' A' ' 14' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.943 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.439 ' HB2' ' CD1' ' B' ' 31' ' ' ILE . 8.5 m-70 . . . . . 0 N--CA 1.458 -0.062 0 CA-C-O 120.717 0.294 . . . . 0.0 110.328 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.447 ' N ' HD12 ' B' ' 31' ' ' ILE . . . -75.44 -51.75 12.32 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.447 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.416 ' O ' ' CB ' ' A' ' 19' ' ' ARG . 3.7 mttp -74.15 -14.56 60.98 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.441 178.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.481 ' HG2' ' CG ' ' B' ' 27' ' ' HIS . 0.6 OUTLIER -87.02 -33.5 19.55 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.722 179.777 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.429 HG22 HD11 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -77.64 -35.67 21.81 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 CA-C-O 120.859 0.362 . . . . 0.0 110.406 179.503 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.65 -39.09 37.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.325 179.254 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.416 ' CB ' ' O ' ' A' ' 15' ' ' LYS . 13.8 tpt85 -73.76 -27.31 61.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.513 179.571 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.482 HD13 ' CD2' ' B' ' 27' ' ' HIS . 13.0 mt -73.1 -41.2 64.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.012 179.417 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -61.13 -46.74 89.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.528 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.87 -33.08 74.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.764 179.748 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.05 -35.06 77.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.059 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.431 ' CG2' ' HB3' ' B' ' 20' ' ' LEU . 0.5 OUTLIER -66.99 -41.54 87.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.066 0.46 . . . . 0.0 110.117 179.844 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.418 ' N ' HG13 ' A' ' 24' ' ' ILE . 10.9 tt0 -59.16 -44.43 92.11 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.611 179.614 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.84 -49.4 73.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.245 179.554 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.484 ' CD2' HD13 ' B' ' 20' ' ' LEU . 25.0 m-70 -65.33 -23.46 67.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.624 179.404 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.43 ' CB ' HG13 ' B' ' 17' ' ' ILE . 0.2 OUTLIER -73.41 -32.64 64.55 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.655 179.831 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.74 -32.46 57.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.713 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.8 p -74.98 -35.14 62.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.697 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.443 ' HB ' ' CB ' ' B' ' 13' ' ' HIS . 7.1 tp -73.31 -34.99 45.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.079 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 48.3 mmtt -76.57 -33.97 58.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.648 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.4 mtpm? . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.444 179.727 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 21.0 p . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.639 0.257 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.582 ' CD2' ' CE1' ' B' ' 13' ' ' HIS . 0.0 OUTLIER -80.45 -39.98 27.15 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 116.565 -0.288 . . . . 0.0 110.644 -179.802 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . 0.582 ' CE1' ' CD2' ' B' ' 12' ' ' HIS . 8.6 m-70 -70.3 -24.28 63.0 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.402 179.262 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . 0.443 ' N ' HD12 ' A' ' 31' ' ' ILE . . . -75.57 -51.99 11.62 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.39 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . 0.417 ' O ' ' CB ' ' B' ' 19' ' ' ARG . 3.7 mttp -73.92 -14.18 61.01 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.445 178.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.478 ' HG2' ' CE1' ' A' ' 27' ' ' HIS . 0.6 OUTLIER -87.28 -33.63 19.19 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.762 179.786 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.453 HG22 HD11 ' B' ' 17' ' ' ILE . 0.0 OUTLIER -77.73 -35.45 21.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.812 0.339 . . . . 0.0 110.358 179.537 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.89 -39.22 35.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.361 179.218 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . 0.417 ' CB ' ' O ' ' B' ' 15' ' ' LYS . 13.9 tpt85 -73.63 -27.53 61.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.534 179.541 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.484 HD13 ' CD2' ' A' ' 27' ' ' HIS . 13.2 mt -72.69 -41.71 65.01 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 109.892 179.379 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -60.49 -46.85 88.6 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.504 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.97 -32.89 74.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.753 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.33 -34.64 76.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.037 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . 0.433 ' CG2' ' HB3' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -67.56 -41.4 85.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.965 0.412 . . . . 0.0 110.029 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . 0.42 ' N ' HG13 ' B' ' 24' ' ' ILE . 11.5 tt0 -59.3 -44.51 92.52 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.5 179.593 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.66 -49.38 73.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.255 179.611 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . 0.482 ' CD2' HD13 ' A' ' 20' ' ' LEU . 25.0 m-70 -65.25 -23.81 67.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.569 179.459 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.422 ' CB ' HG13 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -73.02 -32.87 65.38 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.7 179.824 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.56 -32.31 58.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.771 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 96.1 p -74.94 -35.29 62.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.758 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . 0.447 HD12 ' N ' ' A' ' 14' ' ' ALA . 7.1 tp . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.123 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.432 ' HB2' ' CD1' ' B' ' 31' ' ' ILE . 11.5 m-70 . . . . . 0 CA--C 1.521 -0.135 0 CA-C-O 120.741 0.305 . . . . 0.0 110.215 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.431 ' N ' HD12 ' B' ' 31' ' ' ILE . . . -65.86 -52.01 53.91 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.452 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.44 -21.23 66.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.373 179.198 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.484 ' HB3' ' CE1' ' B' ' 27' ' ' HIS . 44.5 mm-40 -74.2 -42.94 59.0 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.221 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.437 ' CD1' ' HB2' ' B' ' 28' ' ' LYS . 0.3 OUTLIER -71.32 -38.15 68.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.785 0.326 . . . . 0.0 110.565 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -71.88 -29.73 64.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.916 0.389 . . . . 0.0 110.636 179.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -72.54 -41.16 66.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.118 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.45 ' CB ' ' HB ' ' B' ' 24' ' ' ILE . 3.8 mm? -71.99 -26.15 62.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.593 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.4 ' O ' HG21 ' A' ' 24' ' ' ILE . 1.8 tt0 -74.82 -34.83 62.41 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.422 179.45 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.48 -31.82 65.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.016 179.337 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.428 ' HB2' ' CD1' ' B' ' 20' ' ' LEU . 3.9 mm-40 -70.05 -49.35 52.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.989 179.764 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.451 ' HB ' ' CB ' ' B' ' 20' ' ' LEU . 2.9 tt -65.01 -26.7 40.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 179.461 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 73.6 tt0 -64.59 -48.28 75.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.577 179.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.9 ttm180 -66.2 -39.3 89.56 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.821 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.479 ' CG ' ' HB3' ' B' ' 16' ' ' GLU . 11.2 m-70 -72.35 -19.65 61.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.047 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.429 ' HB2' ' CD1' ' B' ' 17' ' ' ILE . 0.2 OUTLIER -79.2 -36.52 40.03 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.93 0.395 . . . . 0.0 110.552 179.714 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -75.61 -28.67 58.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.496 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.2 t -77.94 -41.81 35.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.846 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.439 HD12 ' N ' ' B' ' 14' ' ' ALA . 5.6 tp -75.74 -27.08 18.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.008 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.4 -32.4 29.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.548 179.553 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.5 tttt . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.49 179.57 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 11.5 m . . . . . 0 C--O 1.233 0.203 0 CA-C-O 120.82 0.343 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.572 ' CD2' ' CE1' ' B' ' 13' ' ' HIS . 0.0 OUTLIER -70.79 -46.59 62.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.189 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . 0.572 ' CE1' ' CD2' ' B' ' 12' ' ' HIS . 11.5 m-70 -63.28 -26.86 68.97 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.78 0.324 . . . . 0.0 110.15 179.124 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . 0.439 ' N ' HD12 ' A' ' 31' ' ' ILE . . . -65.93 -51.9 54.47 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.463 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.38 -21.36 66.67 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.418 179.1 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.479 ' HB3' ' CG ' ' A' ' 27' ' ' HIS . 44.7 mm-40 -74.12 -42.94 59.25 Favored 'General case' 0 N--CA 1.456 -0.144 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.29 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.429 ' CD1' ' HB2' ' A' ' 28' ' ' LYS . 0.3 OUTLIER -71.37 -38.15 67.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-O 120.791 0.329 . . . . 0.0 110.596 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -71.76 -29.84 64.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.943 0.401 . . . . 0.0 110.655 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -72.49 -41.15 66.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.118 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.451 ' CB ' ' HB ' ' A' ' 24' ' ' ILE . 3.8 mm? -72.1 -26.1 62.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.516 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . 0.402 ' O ' HG21 ' B' ' 24' ' ' ILE . 1.8 tt0 -74.76 -34.91 62.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.409 179.433 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.43 -31.82 65.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.037 179.32 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . 0.432 ' HB2' ' CD1' ' A' ' 20' ' ' LEU . 3.9 mm-40 -70.17 -49.36 51.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.906 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . 0.45 ' HB ' ' CB ' ' A' ' 20' ' ' LEU . 2.9 tt -64.91 -26.84 41.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 179.453 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 73.6 tt0 -64.41 -48.39 75.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.589 179.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 2.9 ttm180 -66.23 -39.26 89.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.818 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . 0.484 ' CE1' ' HB3' ' A' ' 16' ' ' GLU . 11.3 m-70 -72.36 -19.64 61.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.091 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.437 ' HB2' ' CD1' ' A' ' 17' ' ' ILE . 0.2 OUTLIER -79.15 -36.53 40.3 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.845 0.355 . . . . 0.0 110.546 179.686 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -75.66 -28.64 58.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.468 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 5.3 t -77.99 -41.73 35.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.887 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . 0.432 ' CD1' ' HB2' ' A' ' 13' ' ' HIS . 5.6 tp . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.947 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 . . . . . 0 CA--C 1.521 -0.151 0 CA-C-O 120.776 0.322 . . . . 0.0 110.469 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.433 ' N ' HD11 ' B' ' 31' ' ' ILE . . . -67.28 -55.9 12.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.389 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.81 -13.89 62.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.62 178.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.415 ' O ' ' CD1' ' A' ' 20' ' ' LEU . 4.9 mm-40 -83.18 -35.26 25.63 Favored 'General case' 0 N--CA 1.457 -0.09 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.158 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.432 HG13 ' CB ' ' B' ' 28' ' ' LYS . 0.0 OUTLIER -76.17 -34.95 27.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-O 120.85 0.357 . . . . 0.0 110.465 179.658 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -77.41 -39.24 47.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.468 179.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 -73.5 -27.45 61.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.599 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.441 ' HB3' ' CG2' ' B' ' 24' ' ' ILE . 3.7 mp -72.46 -40.9 66.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.109 179.354 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -61.71 -47.56 84.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.595 179.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.3 ttpt -63.64 -31.87 73.17 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.587 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.71 -35.46 77.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.959 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.442 ' CG2' ' HB3' ' B' ' 20' ' ' LEU . 0.5 OUTLIER -66.75 -41.73 88.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.034 0.445 . . . . 0.0 110.126 179.888 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.409 ' N ' HG13 ' A' ' 24' ' ' ILE . 0.2 OUTLIER -59.42 -43.92 92.98 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.492 179.647 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.76 -49.0 74.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.333 179.552 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.29 -25.83 68.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.649 179.622 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.43 ' CB ' HG13 ' B' ' 17' ' ' ILE . 0.5 OUTLIER -73.81 -33.35 64.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.925 179.868 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -73.3 -32.91 64.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.793 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -75.11 -40.65 59.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.093 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.437 ' HB ' ' HB3' ' B' ' 13' ' ' HIS . 0.0 OUTLIER -76.88 -24.55 15.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.878 0.37 . . . . 0.0 111.105 -179.886 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.3 mmtt -81.0 -31.9 34.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.483 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 35.0 tttt . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.64 179.82 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 2.9 t . . . . . 0 N--CA 1.455 -0.209 0 CA-C-O 121.061 0.457 . . . . 0.0 110.17 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.525 ' CD2' ' ND1' ' B' ' 13' ' ' HIS . 0.1 OUTLIER -73.33 -48.36 34.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.213 179.682 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . 0.525 ' ND1' ' CD2' ' B' ' 12' ' ' HIS . 12.9 m-70 -60.44 -28.35 68.22 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.268 179.285 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . 0.434 ' N ' HG13 ' A' ' 31' ' ' ILE . . . -66.16 -56.27 12.2 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.364 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.41 -14.27 62.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.61 178.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.418 ' O ' ' CD1' ' B' ' 20' ' ' LEU . 4.9 mm-40 -82.6 -34.62 27.58 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.066 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.43 HG13 ' CB ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -76.44 -35.19 26.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 120.86 0.362 . . . . 0.0 110.404 179.735 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -77.42 -38.97 48.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.408 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 30.2 mmt180 -73.69 -27.71 61.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.526 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.442 ' HB3' ' CG2' ' A' ' 24' ' ' ILE . 3.6 mp -72.49 -40.81 66.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.051 179.469 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -61.76 -47.41 85.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.527 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 7.4 ttpt -63.77 -31.57 72.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.621 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.96 -35.29 76.59 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.994 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . 0.441 ' CG2' ' HB3' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -66.94 -41.62 87.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.062 0.458 . . . . 0.0 110.103 179.909 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . 0.412 ' N ' HG13 ' B' ' 24' ' ' ILE . 0.2 OUTLIER -59.58 -43.8 93.55 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.42 179.682 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.84 -49.04 74.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.256 179.537 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.42 -26.11 68.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.402 179.334 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.449 ' HA ' ' CG2' ' B' ' 31' ' ' ILE . 0.4 OUTLIER -73.72 -28.97 61.99 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.886 179.824 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -76.29 -34.1 59.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.579 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 1.1 m -73.57 -41.12 63.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.773 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . 0.449 ' CG2' ' HA ' ' B' ' 28' ' ' LYS . 2.8 tp . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.439 ' CB ' ' HB ' ' B' ' 31' ' ' ILE . 7.8 m-70 . . . . . 0 CA--C 1.522 -0.122 0 CA-C-O 120.744 0.307 . . . . 0.0 110.2 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.456 ' N ' HD12 ' B' ' 31' ' ' ILE . . . -70.38 -55.2 9.67 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.089 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.6 -12.77 61.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.329 178.627 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.424 ' O ' ' CD2' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -83.29 -38.59 21.94 Favored 'General case' 0 N--CA 1.456 -0.175 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.165 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.47 ' CD1' ' CG ' ' B' ' 28' ' ' LYS . 2.6 tt -74.4 -34.37 36.14 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-O 120.877 0.37 . . . . 0.0 110.379 179.514 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -76.33 -41.65 47.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.573 179.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? -73.18 -25.02 60.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.659 179.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.445 ' HB3' ' CG2' ' B' ' 24' ' ' ILE . 1.6 mm? -73.81 -39.67 63.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.942 179.418 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -62.67 -49.88 73.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.343 179.416 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.48 -29.51 70.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.44 179.628 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.21 -36.14 76.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.761 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.445 ' CG2' ' HB3' ' B' ' 20' ' ' LEU . 0.5 OUTLIER -66.53 -41.73 88.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.036 0.446 . . . . 0.0 110.053 179.857 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.414 ' N ' HG13 ' A' ' 24' ' ' ILE . 10.9 tt0 -58.78 -43.87 90.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.391 179.556 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.5 tpp85 -56.1 -48.25 76.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.431 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -63.59 -25.44 68.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.478 179.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.456 ' CG ' ' CD1' ' B' ' 17' ' ' ILE . 0.0 OUTLIER -72.35 -35.61 68.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.825 179.842 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -73.4 -31.54 63.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.975 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.3 t -73.47 -36.69 65.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.802 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.453 HD12 ' N ' ' B' ' 14' ' ' ALA . 5.7 tp -71.11 -35.13 57.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.15 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.7 mmtp -76.4 -34.11 58.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.934 0.397 . . . . 0.0 110.76 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.3 mttt . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.449 179.77 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 18.2 p . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.776 0.322 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.58 ' CD2' ' CE1' ' B' ' 13' ' ' HIS . 0.0 OUTLIER -76.85 -42.57 39.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.52 -179.836 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . 0.58 ' CE1' ' CD2' ' B' ' 12' ' ' HIS . 7.8 m-70 -66.99 -25.58 66.38 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.146 179.122 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . 0.453 ' N ' HD12 ' A' ' 31' ' ' ILE . . . -70.1 -55.3 9.81 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.044 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.62 -12.69 61.67 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.283 178.628 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.423 ' O ' ' CD2' ' B' ' 20' ' ' LEU . 0.1 OUTLIER -83.44 -38.52 21.78 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.144 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.456 ' CD1' ' CG ' ' A' ' 28' ' ' LYS . 2.6 tt -74.53 -34.21 34.79 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-O 120.904 0.383 . . . . 0.0 110.339 179.559 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -76.5 -41.49 46.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.655 179.495 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? -73.23 -25.09 60.59 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.609 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.445 ' HB3' ' CG2' ' A' ' 24' ' ' ILE . 1.6 mm? -73.64 -39.78 64.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 109.945 179.411 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -62.69 -49.77 73.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.402 179.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.53 -29.59 70.83 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.42 179.62 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.1 -36.04 77.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.794 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . 0.445 ' CG2' ' HB3' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -66.62 -41.62 88.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.032 0.444 . . . . 0.0 110.057 179.854 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . 0.408 ' N ' HG13 ' B' ' 24' ' ' ILE . 10.9 tt0 -58.88 -43.79 91.0 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.43 179.57 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 6.5 tpp85 -56.1 -48.43 76.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.389 179.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . 0.406 ' CG ' ' HB3' ' A' ' 16' ' ' GLU . 1.7 m-70 -63.39 -25.55 68.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.525 179.614 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.47 ' CG ' ' CD1' ' A' ' 17' ' ' ILE . 0.0 OUTLIER -72.23 -35.84 68.97 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.828 179.876 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -73.24 -31.31 64.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.937 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 1.3 t -73.71 -36.67 65.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.786 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . 0.456 HD12 ' N ' ' A' ' 14' ' ' ALA . 5.7 tp . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.185 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.408 ' HB3' ' HB ' ' B' ' 31' ' ' ILE . 14.2 m-70 . . . . . 0 N--CA 1.456 -0.174 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.435 ' N ' HG13 ' B' ' 31' ' ' ILE . . . -58.52 -52.75 64.31 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.298 179.713 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.0 tttt -60.3 -21.93 62.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.326 179.027 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.473 ' HB3' ' CE1' ' B' ' 27' ' ' HIS . 6.7 mm-40 -75.51 -39.01 59.01 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.258 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.438 HG13 ' N ' ' A' ' 18' ' ' GLU . 1.1 pp -70.03 -34.61 60.36 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 CA-C-O 120.963 0.411 . . . . 0.0 110.978 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.438 ' N ' HG13 ' A' ' 17' ' ' ILE . 3.6 tt0 -73.51 -41.15 63.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.826 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.4 mtt180 -69.03 -30.79 69.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.573 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.471 ' CD1' ' CD1' ' B' ' 20' ' ' LEU . 0.1 OUTLIER -69.36 -39.87 77.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.327 179.562 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -61.72 -46.73 88.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.483 179.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.9 mtpt -60.9 -34.14 74.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.684 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.63 -39.47 88.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.007 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.429 HG13 ' N ' ' A' ' 25' ' ' GLU . 0.5 OUTLIER -62.27 -40.76 88.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.997 0.427 . . . . 0.0 110.2 179.88 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.429 ' N ' HG13 ' A' ' 24' ' ' ILE . 17.7 tp10 -61.9 -40.87 96.92 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.36 179.579 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.26 -43.29 78.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.157 179.513 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.473 ' CE1' ' HB3' ' B' ' 16' ' ' GLU . 0.2 OUTLIER -67.25 -28.11 67.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.167 179.394 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.436 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 1.4 tmmt? -73.59 -25.72 60.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.684 179.676 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -77.14 -39.41 49.31 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.67 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.25 -36.18 68.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.827 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.442 HG13 ' N ' ' B' ' 14' ' ' ALA . 0.0 OUTLIER -76.26 -32.82 22.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.012 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.65 -27.67 51.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.662 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.629 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 2.3 t . . . . . 0 N--CA 1.454 -0.23 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.518 ' CD2' ' ND1' ' B' ' 13' ' ' HIS . 0.2 OUTLIER -72.77 -50.18 26.09 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.622 179.216 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . 0.518 ' ND1' ' CD2' ' B' ' 12' ' ' HIS . 14.1 m-70 -58.25 -36.44 73.21 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.12 179.207 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . 0.442 ' N ' HG13 ' A' ' 31' ' ' ILE . . . -58.32 -52.49 65.36 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.311 179.691 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -60.73 -21.65 63.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.319 179.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.473 ' HB3' ' CE1' ' A' ' 27' ' ' HIS . 6.6 mm-40 -75.99 -38.2 57.68 Favored 'General case' 0 C--N 1.334 -0.097 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.271 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.434 HG13 ' N ' ' B' ' 18' ' ' GLU . 1.1 pp -70.94 -34.24 54.96 Favored 'Isoleucine or valine' 0 C--O 1.232 0.168 0 CA-C-O 120.933 0.397 . . . . 0.0 110.976 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.434 ' N ' HG13 ' B' ' 17' ' ' ILE . 3.8 tt0 -74.23 -41.03 62.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.781 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 -68.34 -32.53 72.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.555 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.471 ' CD1' ' CD1' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -66.52 -44.58 82.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.044 179.439 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -57.2 -47.49 81.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.706 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 4.8 mtpt -60.23 -33.17 71.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.626 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.48 -39.34 85.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.131 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . 0.433 ' CG2' ' HB3' ' A' ' 20' ' ' LEU . 0.6 OUTLIER -62.64 -40.28 87.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.987 0.422 . . . . 0.0 110.255 179.919 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . 0.424 ' N ' HG13 ' B' ' 24' ' ' ILE . 18.1 tp10 -62.2 -40.9 97.61 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.34 179.603 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.39 -42.93 78.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.143 179.477 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . 0.473 ' CE1' ' HB3' ' A' ' 16' ' ' GLU . 0.2 OUTLIER -67.52 -28.24 67.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.154 179.357 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.433 ' HA ' ' CG2' ' B' ' 31' ' ' ILE . 1.4 tmmt? -73.63 -25.71 60.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.722 179.714 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -77.19 -39.47 48.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.621 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.2 -36.18 69.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.779 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . 0.435 HG13 ' N ' ' A' ' 14' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.065 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.446 ' HB2' ' CD1' ' B' ' 31' ' ' ILE . 12.6 m-70 . . . . . 0 CA--C 1.52 -0.174 0 CA-C-O 120.753 0.311 . . . . 0.0 110.383 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.454 ' N ' HD12 ' B' ' 31' ' ' ILE . . . -68.72 -55.42 11.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.256 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -62.38 -19.15 63.11 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.215 178.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.482 ' HB3' ' CE1' ' B' ' 27' ' ' HIS . 6.4 mm-40 -79.32 -37.83 36.66 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.428 HG13 ' N ' ' A' ' 18' ' ' GLU . 1.1 pp -73.54 -34.67 42.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 120.88 0.371 . . . . 0.0 111.076 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.428 ' N ' HG13 ' A' ' 17' ' ' ILE . 1.7 tt0 -76.77 -36.01 57.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.661 179.737 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 30.7 ttm180 -72.66 -32.57 65.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.631 179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.419 ' CD1' ' O ' ' A' ' 16' ' ' GLU . 15.2 mt -70.74 -40.62 72.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.292 179.621 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.51 -42.36 99.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.66 179.6 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.6 mtmt -63.66 -36.29 83.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.63 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -66.18 -39.38 89.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.026 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.425 HG13 ' N ' ' A' ' 25' ' ' GLU . 0.5 OUTLIER -62.11 -40.16 86.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.054 0.454 . . . . 0.0 110.073 179.81 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.425 ' N ' HG13 ' A' ' 24' ' ' ILE . 13.4 tt0 -61.26 -41.78 97.51 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.387 179.549 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -55.67 -43.9 76.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.037 179.41 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.491 ' CE1' ' CB ' ' B' ' 16' ' ' GLU . 0.2 OUTLIER -65.91 -30.22 70.78 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.56 179.061 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.449 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 1.8 tmmt? -67.75 -25.72 65.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.81 179.71 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -78.84 -38.31 38.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.709 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.9 p -72.56 -31.34 65.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.396 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.455 HD12 ' N ' ' B' ' 14' ' ' ALA . 3.8 tp -82.4 -28.71 8.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.718 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -81.38 -26.42 35.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.62 179.719 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.2 ttpt . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.591 179.721 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.73 0.3 . . . . 0.0 110.976 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.534 ' CD2' ' CE1' ' B' ' 13' ' ' HIS . 0.1 OUTLIER -75.23 -46.72 32.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.425 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . 0.534 ' CE1' ' CD2' ' B' ' 12' ' ' HIS . 12.7 m-70 -62.28 -27.83 69.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.711 0.291 . . . . 0.0 110.302 179.575 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . 0.455 ' N ' HD12 ' A' ' 31' ' ' ILE . . . -68.57 -55.58 11.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.236 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -62.35 -19.2 63.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.177 178.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.491 ' CB ' ' CE1' ' A' ' 27' ' ' HIS . 6.4 mm-40 -79.27 -37.64 37.4 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.122 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.433 ' CG2' HG22 ' A' ' 31' ' ' ILE . 1.1 pp -73.68 -34.72 42.05 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 CA-C-O 120.855 0.359 . . . . 0.0 110.984 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.424 ' N ' HG13 ' B' ' 17' ' ' ILE . 1.6 tt0 -76.7 -36.02 57.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.728 179.746 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 30.8 ttm180 -72.74 -32.56 65.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.587 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.418 ' CD1' ' O ' ' B' ' 16' ' ' GLU . 15.5 mt -70.79 -40.54 72.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.281 179.654 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.63 -42.31 99.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.595 179.684 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 14.6 mtmt -63.52 -36.46 83.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.645 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -66.08 -39.45 90.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.002 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . 0.429 HG13 ' N ' ' B' ' 25' ' ' GLU . 0.5 OUTLIER -62.25 -40.01 86.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.034 0.445 . . . . 0.0 110.101 179.86 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . 0.429 ' N ' HG13 ' B' ' 24' ' ' ILE . 13.5 tt0 -61.39 -41.56 97.32 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.409 179.497 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -55.92 -43.74 77.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.016 179.349 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . 0.482 ' CE1' ' HB3' ' A' ' 16' ' ' GLU . 0.2 OUTLIER -66.18 -29.73 70.07 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.717 179.038 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.455 ' HA ' ' CG2' ' B' ' 31' ' ' ILE . 1.8 tmmt? -68.43 -25.5 65.05 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.699 179.628 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -78.93 -38.45 37.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.717 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 1.9 p -72.36 -31.72 65.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.245 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . 0.455 ' CG2' ' HA ' ' B' ' 28' ' ' LYS . 4.0 tp . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.672 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.434 ' HB3' ' HB ' ' B' ' 31' ' ' ILE . 16.3 m-70 . . . . . 0 CA--C 1.522 -0.117 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.442 ' N ' HD12 ' B' ' 31' ' ' ILE . . . -68.1 -47.56 67.87 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.236 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.424 ' O ' ' CB ' ' A' ' 19' ' ' ARG . 1.8 tttp -71.1 -17.44 62.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.684 179.129 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.416 ' O ' ' CG ' ' A' ' 20' ' ' LEU . 9.8 mm-40 -83.34 -34.34 25.68 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.387 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.42 HG13 ' CB ' ' B' ' 28' ' ' LYS . 0.0 OUTLIER -80.67 -31.18 12.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-O 120.946 0.403 . . . . 0.0 110.526 179.789 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.401 ' N ' HG21 ' A' ' 17' ' ' ILE . 6.3 tt0 -82.0 -36.41 27.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.304 179.316 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.424 ' CB ' ' O ' ' A' ' 15' ' ' LYS . 2.2 tpm_? -76.07 -31.79 58.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.333 179.463 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.416 ' CG ' ' O ' ' A' ' 16' ' ' GLU . 18.8 mt -72.61 -39.89 66.94 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.995 179.4 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.84 -42.62 99.81 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.702 179.655 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.01 -38.23 90.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.747 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.31 -39.41 93.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.175 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.42 HG13 ' N ' ' A' ' 25' ' ' GLU . 0.5 OUTLIER -63.87 -39.08 84.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.066 0.46 . . . . 0.0 110.24 179.935 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.42 ' N ' HG13 ' A' ' 24' ' ' ILE . 3.5 mt-10 -59.94 -43.97 94.64 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.504 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -56.04 -49.99 72.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.981 0.419 . . . . 0.0 110.262 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -65.16 -23.7 67.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.624 179.469 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.45 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 0.7 OUTLIER -77.98 -25.38 48.05 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.94 179.904 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -77.9 -39.52 42.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.615 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.6 p -71.04 -37.86 72.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.907 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.45 ' CG2' ' HA ' ' A' ' 28' ' ' LYS . 5.2 tp -75.6 -28.34 19.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.999 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.2 ttpt -76.44 -28.76 56.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.72 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.685 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 11.0 p . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 121.123 0.487 . . . . 0.0 109.7 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.525 ' CD2' ' ND1' ' B' ' 13' ' ' HIS . 0.5 OUTLIER -77.77 -49.37 14.5 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.739 179.265 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . 0.525 ' ND1' ' CD2' ' B' ' 12' ' ' HIS . 16.4 m-70 -66.48 -25.72 66.85 Favored 'General case' 0 N--CA 1.457 -0.089 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.02 178.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . 0.44 ' N ' HD12 ' A' ' 31' ' ' ILE . . . -68.14 -47.63 67.57 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 120.987 0.422 . . . . 0.0 110.265 179.77 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . 0.424 ' O ' ' CB ' ' B' ' 19' ' ' ARG . 1.8 tttp -71.09 -17.4 62.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.687 179.117 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.415 ' O ' ' CG ' ' B' ' 20' ' ' LEU . 9.8 mm-40 -83.35 -34.32 25.66 Favored 'General case' 0 CA--C 1.527 0.089 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.464 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.418 HG13 ' CB ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -80.62 -31.15 12.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.912 0.387 . . . . 0.0 110.581 179.675 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -82.04 -36.36 27.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.3 179.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . 0.424 ' CB ' ' O ' ' B' ' 15' ' ' LYS . 2.2 tpm_? -76.21 -31.69 58.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.304 179.51 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.418 ' O ' ' CG2' ' B' ' 24' ' ' ILE . 18.9 mt -72.61 -39.84 66.96 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.052 179.315 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.85 -42.72 99.86 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.623 179.626 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.04 -38.15 90.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.677 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.33 -39.36 93.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.125 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . 0.425 HG13 ' N ' ' B' ' 25' ' ' GLU . 0.5 OUTLIER -64.04 -39.0 83.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.976 0.417 . . . . 0.0 110.195 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . 0.425 ' N ' HG13 ' B' ' 24' ' ' ILE . 3.5 mt-10 -59.91 -43.9 94.58 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.617 179.759 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 26.6 ttm180 -56.11 -49.96 72.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.311 179.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -65.06 -23.76 67.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.626 179.382 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.454 ' HA ' ' CG2' ' B' ' 31' ' ' ILE . 0.7 OUTLIER -78.02 -25.39 47.88 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -77.8 -39.73 42.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.586 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 11.7 p -70.83 -37.89 73.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.945 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . 0.454 ' CG2' ' HA ' ' B' ' 28' ' ' LYS . 5.1 tp . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.948 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.435 ' HB3' ' HB ' ' B' ' 31' ' ' ILE . 17.5 m-70 . . . . . 0 CA--C 1.522 -0.134 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.438 ' N ' HG13 ' B' ' 31' ' ' ILE . . . -65.22 -47.98 74.93 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.135 179.525 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -64.49 -25.08 67.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.201 179.119 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.466 ' HB3' ' CE1' ' B' ' 27' ' ' HIS . 0.1 OUTLIER -75.22 -36.04 61.4 Favored 'General case' 0 C--N 1.334 -0.095 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.101 179.878 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.433 ' CD1' ' HB2' ' B' ' 28' ' ' LYS . 2.4 tt -78.17 -24.78 13.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.748 0.309 . . . . 0.0 110.709 179.782 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -81.46 -35.61 30.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.956 0.407 . . . . 0.0 110.544 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 24.1 ttt-85 -74.11 -39.75 63.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.214 179.477 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.474 ' CD1' ' CD1' ' B' ' 20' ' ' LEU . 0.0 OUTLIER -67.41 -39.77 85.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.12 179.474 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -63.93 -37.34 87.04 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.603 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.43 -44.75 96.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.582 179.77 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -58.52 -45.88 87.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.973 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.441 ' CG2' ' HB3' ' B' ' 20' ' ' LEU . 0.6 OUTLIER -60.99 -35.45 65.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.092 0.472 . . . . 0.0 110.056 179.831 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.419 ' N ' HG13 ' A' ' 24' ' ' ILE . 1.5 tt0 -58.97 -43.06 91.27 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.452 179.638 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.3 ttt85 -58.45 -50.57 73.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.132 179.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.464 ' CE1' ' HB3' ' B' ' 16' ' ' GLU . 1.3 m-70 -62.23 -23.75 66.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.504 179.257 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.433 ' HB2' ' CD1' ' B' ' 17' ' ' ILE . 11.8 ttpt -78.75 -27.9 44.8 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.783 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -73.61 -38.2 65.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.631 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 59.7 p -71.31 -43.57 66.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.878 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.44 HG13 ' N ' ' B' ' 14' ' ' ALA . 0.0 OUTLIER -74.55 -24.16 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.315 -179.828 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.423 ' NZ ' ' HE3' ' A' ' 28' ' ' LYS . 23.5 ttmt -82.36 -26.18 33.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.426 179.446 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.443 179.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.455 -0.194 0 CA-C-O 121.059 0.457 . . . . 0.0 109.819 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.529 ' CD2' ' CE1' ' B' ' 13' ' ' HIS . 0.3 OUTLIER -76.06 -48.4 20.99 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.725 -0.671 . . . . 0.0 109.814 179.365 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . 0.529 ' CE1' ' CD2' ' B' ' 12' ' ' HIS . 17.3 m-70 -65.47 -27.97 68.88 Favored 'General case' 0 CA--C 1.521 -0.15 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 178.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . 0.44 ' N ' HG13 ' A' ' 31' ' ' ILE . . . -64.91 -48.22 74.94 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.161 179.51 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -64.32 -25.1 67.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.303 179.11 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.464 ' HB3' ' CE1' ' A' ' 27' ' ' HIS . 0.1 OUTLIER -75.24 -36.04 61.35 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.15 179.826 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.433 ' CD1' ' HB2' ' A' ' 28' ' ' LYS . 2.4 tt -78.25 -24.82 13.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.759 0.314 . . . . 0.0 110.652 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -81.31 -35.74 30.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.481 179.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 24.5 ttt-85 -74.06 -39.72 63.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.206 179.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.474 ' CD1' ' CD1' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -67.42 -39.56 85.47 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.25 179.465 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -64.12 -37.3 86.97 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.509 179.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.36 -44.8 96.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.633 179.723 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -58.63 -45.96 88.1 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.974 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . 0.427 ' CG2' ' HB3' ' A' ' 20' ' ' LEU . 0.6 OUTLIER -60.71 -35.79 66.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.072 0.463 . . . . 0.0 110.055 179.872 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . 0.427 ' N ' HG13 ' B' ' 24' ' ' ILE . 1.5 tt0 -58.62 -43.55 89.69 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.4 179.67 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 6.3 ttt85 -57.8 -50.54 72.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.084 179.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . 0.466 ' CE1' ' HB3' ' A' ' 16' ' ' GLU . 1.4 m-70 -62.52 -23.52 67.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.472 179.366 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.433 ' HB2' ' CD1' ' A' ' 17' ' ' ILE . 11.7 ttpt -78.89 -27.32 43.91 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -74.33 -38.12 63.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.557 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 59.8 p -71.43 -43.58 66.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.881 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . 0.438 HG13 ' N ' ' A' ' 14' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.198 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.431 ' HB3' ' HB ' ' B' ' 31' ' ' ILE . 15.9 m-70 . . . . . 0 N--CA 1.456 -0.174 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.445 ' N ' HD12 ' B' ' 31' ' ' ILE . . . -67.27 -48.19 68.44 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.187 179.772 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.415 ' O ' ' CG ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -68.95 -18.41 64.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.538 179.094 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.499 ' CB ' ' CE1' ' B' ' 27' ' ' HIS . 21.0 mm-40 -80.44 -38.61 29.75 Favored 'General case' 0 C--O 1.231 0.084 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.499 -179.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.431 HG13 ' CB ' ' B' ' 28' ' ' LYS . 0.0 OUTLIER -78.14 -29.71 15.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.919 0.39 . . . . 0.0 110.763 179.871 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -81.08 -35.26 31.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.529 179.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.415 ' CG ' ' O ' ' A' ' 15' ' ' LYS . 71.5 mtp180 -74.55 -34.57 62.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.509 179.583 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.422 ' CD1' ' O ' ' A' ' 16' ' ' GLU . 23.0 mt -71.03 -40.55 71.66 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.083 179.457 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.94 -40.6 96.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.758 179.729 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -42.72 99.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.725 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.66 -39.98 93.29 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.092 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.42 HG13 ' N ' ' A' ' 25' ' ' GLU . 0.6 OUTLIER -63.63 -36.56 76.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.982 0.42 . . . . 0.0 110.077 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.42 ' N ' HG13 ' A' ' 24' ' ' ILE . 54.0 tt0 -60.88 -44.13 97.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.477 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 31.4 ttt-85 -56.42 -50.69 70.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.202 179.502 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.49 ' CE1' ' CB ' ' B' ' 16' ' ' GLU . 0.2 OUTLIER -63.8 -24.32 67.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.487 179.359 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.448 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 6.3 ttmt -78.36 -24.69 46.31 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -76.83 -39.99 49.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.506 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.2 m -70.35 -40.93 73.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.737 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.448 ' CG2' ' HA ' ' A' ' 28' ' ' LYS . 4.1 tp -75.92 -27.67 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.983 0.42 . . . . 0.0 110.885 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.4 ttmm -79.12 -26.26 42.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.715 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.9 ttpp . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.673 179.816 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 17.8 m . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.526 ' CD2' ' ND1' ' B' ' 13' ' ' HIS . 0.3 OUTLIER -77.26 -49.68 14.53 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.699 179.272 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . 0.526 ' ND1' ' CD2' ' B' ' 12' ' ' HIS . 15.9 m-70 -65.29 -26.79 68.22 Favored 'General case' 0 N--CA 1.457 -0.109 0 C-N-CA 120.714 -0.394 . . . . 0.0 109.998 178.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . 0.445 ' N ' HD12 ' A' ' 31' ' ' ILE . . . -67.18 -48.22 68.6 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.058 0.456 . . . . 0.0 110.254 179.768 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . 0.424 ' O ' ' CG ' ' B' ' 19' ' ' ARG . 0.0 OUTLIER -68.94 -18.38 64.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.577 179.066 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.49 ' CB ' ' CE1' ' A' ' 27' ' ' HIS . 20.9 mm-40 -80.51 -38.63 29.42 Favored 'General case' 0 N--CA 1.458 -0.068 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.505 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.415 HG13 ' CB ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -78.17 -29.58 15.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.758 0.313 . . . . 0.0 110.7 179.856 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -81.09 -35.34 31.82 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.508 179.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . 0.424 ' CG ' ' O ' ' B' ' 15' ' ' LYS . 71.5 mtp180 -74.55 -34.55 62.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.475 179.633 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.424 ' O ' ' CG2' ' B' ' 24' ' ' ILE . 23.0 mt -71.06 -40.5 71.62 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.157 179.412 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.98 -40.65 96.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.713 179.707 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -42.74 99.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.697 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.56 -39.97 93.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.118 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . 0.427 HG13 ' N ' ' B' ' 25' ' ' GLU . 0.6 OUTLIER -63.73 -36.48 76.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.023 0.44 . . . . 0.0 110.135 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . 0.427 ' N ' HG13 ' B' ' 24' ' ' ILE . 53.9 tt0 -60.9 -44.09 97.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.525 179.729 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 31.2 ttt-85 -56.44 -50.7 70.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.169 179.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . 0.499 ' CE1' ' CB ' ' A' ' 16' ' ' GLU . 0.2 OUTLIER -63.89 -24.21 67.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.443 179.419 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.448 ' HA ' ' CG2' ' B' ' 31' ' ' ILE . 6.3 ttmt -78.38 -24.68 46.25 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -76.88 -39.99 49.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.48 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 2.2 m -70.35 -40.9 73.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.738 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . 0.448 ' CG2' ' HA ' ' B' ' 28' ' ' LYS . 4.1 tp . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.839 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.451 ' HB2' ' CD1' ' B' ' 31' ' ' ILE . 12.6 m-70 . . . . . 0 CA--C 1.52 -0.197 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.449 ' N ' HD12 ' B' ' 31' ' ' ILE . . . -64.63 -55.71 18.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.444 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.407 ' O ' ' CB ' ' A' ' 19' ' ' ARG . 0.8 OUTLIER -63.93 -15.49 59.26 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.423 178.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.518 ' CB ' ' CE1' ' B' ' 27' ' ' HIS . 5.1 mm-40 -84.05 -33.23 24.49 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.978 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.431 ' CG2' ' O ' ' A' ' 13' ' ' HIS . 1.0 OUTLIER -76.7 -37.37 28.66 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 CA-C-O 120.954 0.407 . . . . 0.0 110.429 179.821 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -77.81 -38.78 45.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.447 179.371 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.407 ' CB ' ' O ' ' A' ' 15' ' ' LYS . 7.1 ttt180 -73.43 -27.39 61.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.34 179.529 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.491 ' CD1' ' CD2' ' B' ' 27' ' ' HIS . 9.5 mt -71.44 -42.9 67.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.024 179.333 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -61.1 -46.85 88.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.785 179.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.4 ttpp -62.4 -33.24 74.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.679 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -68.46 -36.49 79.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.96 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.423 HG13 ' N ' ' A' ' 25' ' ' GLU . 0.5 OUTLIER -65.14 -41.12 90.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.003 0.43 . . . . 0.0 110.15 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.423 ' N ' HG13 ' A' ' 24' ' ' ILE . 15.2 tt0 -61.1 -42.02 97.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.325 179.607 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.1 tpt85 -58.52 -39.76 81.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.263 179.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.518 ' CE1' ' CB ' ' B' ' 16' ' ' GLU . 0.2 OUTLIER -67.97 -27.75 66.85 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.94 179.352 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.451 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 1.2 ttmt -72.0 -32.59 67.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.689 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -69.69 -41.88 74.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.673 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.3 t -67.98 -42.34 80.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.106 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.459 HD12 ' N ' ' B' ' 14' ' ' ALA . 5.6 tp -71.57 -24.83 23.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.169 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -78.59 -35.54 45.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.925 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.0 tttp . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.729 179.92 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.867 0.365 . . . . 0.0 110.665 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.513 ' CD2' ' ND1' ' B' ' 13' ' ' HIS . 0.2 OUTLIER -73.28 -48.24 36.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.314 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . 0.513 ' ND1' ' CD2' ' B' ' 12' ' ' HIS . 13.2 m-70 -59.98 -30.27 69.01 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.268 179.556 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . 0.459 ' N ' HD12 ' A' ' 31' ' ' ILE . . . -65.24 -55.91 15.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.369 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.59 -15.85 59.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.389 179.02 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.518 ' CB ' ' CE1' ' A' ' 27' ' ' HIS . 5.1 mm-40 -83.58 -33.69 25.34 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.962 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.436 ' CG2' HG23 ' A' ' 31' ' ' ILE . 1.0 OUTLIER -76.07 -37.6 33.56 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 CA-C-O 120.948 0.404 . . . . 0.0 110.524 179.748 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -77.28 -38.89 49.87 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.446 179.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 -73.49 -27.07 61.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.364 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.499 ' CD1' ' CD2' ' A' ' 27' ' ' HIS . 9.9 mt -72.27 -41.61 66.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.242 179.409 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -62.65 -46.16 89.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.549 179.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 1.4 ttpp -63.16 -33.34 75.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.0 0.429 . . . . 0.0 110.704 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -68.23 -36.94 80.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.99 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . 0.424 HG13 ' N ' ' B' ' 25' ' ' GLU . 0.5 OUTLIER -64.81 -41.18 91.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.978 0.418 . . . . 0.0 110.199 179.881 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . 0.424 ' N ' HG13 ' B' ' 24' ' ' ILE . 15.2 tt0 -60.9 -41.82 96.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.332 179.585 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 5.2 tpt85 -58.99 -39.3 81.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.229 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . 0.518 ' CE1' ' CB ' ' A' ' 16' ' ' GLU . 0.2 OUTLIER -68.48 -26.97 65.74 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.056 179.356 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.461 ' HA ' ' CG2' ' B' ' 31' ' ' ILE . 1.3 ttmt -73.17 -32.27 64.75 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.578 179.644 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -69.82 -42.0 74.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.728 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 12.4 t -67.97 -42.54 80.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.984 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . 0.461 ' CG2' ' HA ' ' B' ' 28' ' ' LYS . 5.8 tp . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.165 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 . . . . . 0 CA--C 1.522 -0.117 0 CA-C-O 120.708 0.29 . . . . 0.0 110.442 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.42 ' N ' HD12 ' B' ' 31' ' ' ILE . . . -71.0 -54.19 12.11 Favored 'General case' 0 CA--C 1.517 -0.304 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 179.661 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.3 mtpp -69.45 -10.84 59.77 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.427 178.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.402 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 13.9 mm-40 -85.88 -37.74 18.81 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 116.576 -0.283 . . . . 0.0 111.115 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.437 ' CD1' ' HB2' ' B' ' 28' ' ' LYS . 3.4 tt -74.95 -33.08 28.68 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-O 120.925 0.393 . . . . 0.0 110.253 179.532 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -77.18 -40.89 43.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.653 179.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.415 ' NH1' ' OE1' ' A' ' 23' ' ' GLU . 16.1 ttp85 -73.65 -25.83 60.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.691 179.666 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.453 ' HB3' ' CG2' ' B' ' 24' ' ' ILE . 2.0 mm? -74.29 -39.43 62.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.143 179.485 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -63.47 -47.45 81.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.358 179.509 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.61 -30.91 71.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.523 179.672 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.415 ' OE1' ' NH1' ' A' ' 19' ' ' ARG . 0.2 OUTLIER -68.2 -37.37 80.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.911 179.838 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.456 ' CG2' ' HB3' ' B' ' 20' ' ' LEU . 0.5 OUTLIER -65.38 -41.79 92.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.044 0.45 . . . . 0.0 109.924 179.783 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.427 ' N ' HG13 ' A' ' 24' ' ' ILE . 0.6 OUTLIER -58.34 -44.03 88.52 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.622 179.665 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.51 -50.2 70.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.014 0.435 . . . . 0.0 110.174 179.543 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 45.8 m-70 -62.99 -25.4 68.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.363 179.337 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.44 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 15.2 ttpt -74.25 -27.74 60.9 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.97 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -76.92 -35.99 56.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.619 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.7 t -72.89 -40.61 65.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.901 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.44 ' CG2' ' HA ' ' A' ' 28' ' ' LYS . 3.4 tp -74.89 -31.28 25.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.176 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.42 -23.61 34.77 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.943 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 43.8 tttt . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.398 -179.743 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.235 0.314 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.461 ' CE1' ' HG3' ' B' ' 16' ' ' GLU . 0.2 OUTLIER -68.27 -39.36 82.19 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.518 179.099 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . 0.402 ' HB3' ' HB ' ' A' ' 31' ' ' ILE . 12.1 m-70 -61.88 -25.97 67.87 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.463 179.328 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . 0.412 ' N ' HD12 ' A' ' 31' ' ' ILE . . . -70.94 -54.12 12.49 Favored 'General case' 0 CA--C 1.517 -0.292 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 179.659 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 3.3 mtpp -69.63 -10.86 59.91 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.324 178.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.461 ' HG3' ' CE1' ' B' ' 12' ' ' HIS . 14.1 mm-40 -85.93 -37.6 18.9 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.167 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.432 ' CD1' ' HB2' ' A' ' 28' ' ' LYS . 3.5 tt -75.03 -33.13 28.38 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 CA-C-O 120.811 0.338 . . . . 0.0 110.211 179.516 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -77.14 -40.79 44.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.617 179.53 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . 0.417 ' NH1' ' OE1' ' B' ' 23' ' ' GLU . 16.5 ttp85 -73.82 -25.71 60.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.658 179.758 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.456 ' HB3' ' CG2' ' A' ' 24' ' ' ILE . 1.9 mm? -74.37 -39.38 62.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.139 179.454 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -63.5 -47.45 81.68 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.387 179.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.59 -30.9 71.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.496 179.673 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . 0.417 ' OE1' ' NH1' ' B' ' 19' ' ' ARG . 0.2 OUTLIER -68.29 -37.28 80.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.855 179.914 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . 0.453 ' CG2' ' HB3' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -65.39 -41.82 92.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.014 0.435 . . . . 0.0 109.964 179.72 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . 0.425 ' N ' HG13 ' B' ' 24' ' ' ILE . 0.6 OUTLIER -58.43 -43.97 88.96 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.531 179.754 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.58 -50.0 71.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.016 0.436 . . . . 0.0 110.217 179.554 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 45.3 m-70 -63.08 -25.55 68.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.294 179.334 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.437 ' HB2' ' CD1' ' A' ' 17' ' ' ILE . 15.1 ttpt -74.18 -27.97 61.07 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.916 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -76.72 -35.97 57.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.61 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 14.6 t -72.78 -40.71 65.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.902 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . 0.437 ' CG2' ' HA ' ' B' ' 28' ' ' LYS . 3.4 tp . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.298 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.429 ' HB2' ' CD1' ' B' ' 31' ' ' ILE . 13.2 m-70 . . . . . 0 CA--C 1.522 -0.134 0 CA-C-O 120.765 0.317 . . . . 0.0 110.309 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.433 ' N ' HD12 ' B' ' 31' ' ' ILE . . . -63.08 -45.85 90.21 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.351 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.419 ' O ' ' CB ' ' A' ' 19' ' ' ARG . 1.1 pttt -69.86 -16.42 63.25 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.364 178.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.421 ' CD ' ' CE1' ' B' ' 27' ' ' HIS . 0.0 OUTLIER -78.95 -44.29 22.84 Favored 'General case' 0 CA--C 1.528 0.109 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.508 -179.751 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.436 ' CD1' ' HB2' ' B' ' 28' ' ' LYS . 2.6 tt -76.41 -30.6 19.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.893 0.378 . . . . 0.0 110.576 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -79.64 -31.7 41.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.597 179.628 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.419 ' CB ' ' O ' ' A' ' 15' ' ' LYS . 51.5 ttt-85 -74.62 -40.05 61.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.764 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.445 ' CB ' ' CG2' ' B' ' 24' ' ' ILE . 7.6 mt -69.83 -36.02 75.24 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 179.523 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.27 -43.06 99.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.664 179.715 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.9 ttpt -61.2 -44.89 96.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.967 0.413 . . . . 0.0 110.51 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -58.46 -41.53 85.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.958 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.431 HG13 ' N ' ' A' ' 25' ' ' GLU . 0.7 OUTLIER -64.86 -30.44 50.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.995 0.426 . . . . 0.0 110.321 179.935 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.431 ' N ' HG13 ' A' ' 24' ' ' ILE . 8.0 tt0 -62.72 -45.51 92.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.063 179.384 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -57.44 -50.68 72.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.086 179.274 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.423 ' CE1' ' CD ' ' B' ' 16' ' ' GLU . 6.8 m-70 -65.51 -20.34 66.3 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.544 179.245 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.444 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 6.9 ttpt -79.97 -26.64 39.91 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.754 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -76.95 -38.73 52.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.431 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.43 -41.1 66.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.806 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.444 ' CG2' ' HA ' ' A' ' 28' ' ' LYS . 4.2 tp -76.36 -27.02 17.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.959 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.414 ' CB ' ' O ' ' A' ' 28' ' ' LYS . 34.5 ttpt -80.66 -25.53 38.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.531 179.457 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.9 mttm . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.855 179.879 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 C--O 1.232 0.171 0 CA-C-O 121.03 0.443 . . . . 0.0 110.174 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.522 ' CD2' ' ND1' ' B' ' 13' ' ' HIS . 0.2 OUTLIER -69.47 -48.53 60.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.839 179.563 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . 0.522 ' ND1' ' CD2' ' B' ' 12' ' ' HIS . 13.2 m-70 -59.56 -32.93 70.8 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.333 179.329 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . 0.429 ' N ' HD12 ' A' ' 31' ' ' ILE . . . -63.22 -45.5 91.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.478 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . 0.426 ' O ' ' CB ' ' B' ' 19' ' ' ARG . 1.1 pttt -70.14 -16.64 63.12 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.331 178.807 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.464 ' OE1' ' CE1' ' B' ' 12' ' ' HIS . 0.0 OUTLIER -78.53 -44.48 24.22 Favored 'General case' 0 N--CA 1.457 -0.085 0 CA-C-N 116.51 -0.313 . . . . 0.0 111.585 -179.881 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.432 ' CD1' ' HB2' ' A' ' 28' ' ' LYS . 2.6 tt -76.27 -30.93 20.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 120.847 0.356 . . . . 0.0 110.551 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -79.13 -31.48 44.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.679 179.481 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . 0.426 ' CB ' ' O ' ' B' ' 15' ' ' LYS . 51.2 ttt-85 -74.8 -40.19 61.28 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.822 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.427 ' O ' ' CG2' ' B' ' 24' ' ' ILE . 6.4 mt -70.48 -34.47 72.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.872 0.368 . . . . 0.0 110.017 179.592 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.45 -43.1 98.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.47 179.565 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 18.6 ttpt -61.44 -44.62 96.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.963 0.411 . . . . 0.0 110.529 179.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -58.35 -42.01 85.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.996 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . 0.445 ' CG2' ' CB ' ' A' ' 20' ' ' LEU . 0.7 OUTLIER -64.58 -30.52 50.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.977 0.418 . . . . 0.0 110.213 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . 0.421 ' N ' HG13 ' B' ' 24' ' ' ILE . 8.1 tt0 -62.28 -45.72 91.99 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.043 179.45 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -57.32 -50.62 72.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.067 179.263 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . 0.425 ' O ' ' CG2' ' B' ' 31' ' ' ILE . 6.8 m-70 -65.59 -20.01 66.14 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.584 179.254 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.439 ' HA ' ' CG2' ' B' ' 31' ' ' ILE . 6.9 ttpt -80.36 -26.56 38.59 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.733 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -76.99 -38.64 52.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.452 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.42 -41.21 66.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.863 179.759 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . 0.439 ' CG2' ' HA ' ' B' ' 28' ' ' LYS . 4.3 tp . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.959 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.453 ' HB2' ' CD1' ' B' ' 31' ' ' ILE . 13.3 m-70 . . . . . 0 CA--C 1.52 -0.199 0 CA-C-O 120.636 0.255 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.452 ' N ' HD12 ' B' ' 31' ' ' ILE . . . -65.09 -55.28 19.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.426 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.0 mmtm -64.27 -15.21 59.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.534 179.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.479 ' HB3' ' CE1' ' B' ' 27' ' ' HIS . 3.1 mm-40 -84.34 -33.62 23.83 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.901 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.435 ' CG2' HG23 ' B' ' 31' ' ' ILE . 1.0 OUTLIER -76.23 -36.95 31.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 CA-C-O 120.99 0.424 . . . . 0.0 110.51 179.724 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -77.53 -40.01 44.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.291 179.286 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.0 -27.32 62.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.245 179.511 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.478 HD13 ' CD2' ' B' ' 27' ' ' HIS . 8.5 mt -71.19 -43.04 68.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.108 179.436 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.65 -46.15 91.38 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.65 179.597 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.68 -33.46 75.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.729 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -67.99 -37.26 81.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.049 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.43 ' CG2' ' HB3' ' B' ' 20' ' ' LEU . 0.5 OUTLIER -64.76 -40.81 90.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.066 0.46 . . . . 0.0 110.197 179.929 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.423 ' N ' HG13 ' A' ' 24' ' ' ILE . 0.2 OUTLIER -61.39 -41.15 96.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.314 179.566 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.9 ttp180 -58.31 -41.68 85.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.238 179.479 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.478 ' CD2' HD13 ' B' ' 20' ' ' LEU . 0.2 OUTLIER -66.83 -27.14 67.31 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.942 179.277 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.441 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 0.2 OUTLIER -72.4 -32.11 66.11 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.644 179.686 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -69.56 -41.61 75.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.682 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.84 -44.04 78.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.016 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.451 HD12 ' N ' ' B' ' 14' ' ' ALA . 5.4 tp -70.19 -25.19 27.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.09 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.9 mtpp -77.6 -35.61 52.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.953 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.3 tptt . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.713 179.876 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.891 0.377 . . . . 0.0 110.734 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.514 ' CD2' ' ND1' ' B' ' 13' ' ' HIS . 0.2 OUTLIER -72.93 -48.9 32.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.284 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . 0.514 ' ND1' ' CD2' ' B' ' 12' ' ' HIS . 13.4 m-70 -59.69 -30.18 68.61 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.339 179.543 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . 0.451 ' N ' HD12 ' A' ' 31' ' ' ILE . . . -65.26 -55.23 19.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.345 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 28.1 mmtm -64.18 -15.36 59.72 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.497 178.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.478 ' HB3' ' CE1' ' A' ' 27' ' ' HIS . 3.1 mm-40 -84.17 -33.71 24.15 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.977 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.438 ' CG2' HG23 ' A' ' 31' ' ' ILE . 1.0 OUTLIER -76.22 -37.0 31.47 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 CA-C-O 120.928 0.394 . . . . 0.0 110.44 179.783 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -77.47 -39.99 44.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.262 179.295 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.0 -27.31 62.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.313 179.516 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.478 HD13 ' CD2' ' A' ' 27' ' ' HIS . 8.5 mt -71.19 -43.05 68.19 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.156 179.404 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.63 -46.2 91.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.609 179.61 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . 0.405 ' CE ' ' HA ' ' B' ' 22' ' ' LYS . 0.0 OUTLIER -62.62 -33.52 75.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.729 179.845 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -67.96 -37.24 81.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.091 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . 0.432 ' CG2' ' HB3' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -64.88 -40.66 89.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.074 0.464 . . . . 0.0 110.202 179.944 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . 0.426 ' N ' HG13 ' B' ' 24' ' ' ILE . 0.2 OUTLIER -61.52 -41.09 96.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.302 179.526 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 10.9 ttp180 -58.38 -41.7 85.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.175 179.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . 0.479 ' CE1' ' HB3' ' A' ' 16' ' ' GLU . 0.2 OUTLIER -66.83 -27.1 67.27 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.966 179.276 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.456 ' HA ' ' CG2' ' B' ' 31' ' ' ILE . 0.2 OUTLIER -72.39 -32.11 66.13 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.653 179.645 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -69.63 -41.56 75.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.709 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.72 -44.12 78.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.98 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . 0.456 ' CG2' ' HA ' ' B' ' 28' ' ' LYS . 5.4 tp . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.406 ' HB3' ' HB ' ' B' ' 31' ' ' ILE . 14.2 m-70 . . . . . 0 N--CA 1.456 -0.147 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.429 ' N ' HG13 ' B' ' 31' ' ' ILE . . . -65.32 -39.36 92.36 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.32 179.509 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 43.6 mttt -71.79 -23.47 61.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.433 179.193 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.424 ' CB ' ' CE1' ' B' ' 27' ' ' HIS . 0.3 OUTLIER -75.05 -41.62 58.67 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.224 179.897 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.474 ' CD1' ' CG ' ' B' ' 28' ' ' LYS . 2.2 tt -74.58 -34.21 34.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.745 0.307 . . . . 0.0 110.631 179.817 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -76.0 -29.47 58.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.436 179.611 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 18.8 ttp85 -73.32 -44.11 59.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.672 179.805 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.464 ' CB ' ' CG2' ' B' ' 24' ' ' ILE . 10.9 mt -66.31 -34.55 78.24 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.062 179.554 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.87 -44.04 97.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.63 179.642 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.3 mtpp -58.61 -46.52 86.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.591 179.684 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -57.76 -43.74 85.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.034 179.909 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.454 ' CG2' ' CB ' ' B' ' 20' ' ' LEU . 0.7 OUTLIER -63.18 -31.08 51.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 121.013 0.435 . . . . 0.0 110.188 179.934 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.429 ' N ' HG13 ' A' ' 24' ' ' ILE . 52.7 tt0 -61.6 -45.96 91.86 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.146 179.521 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.8 ttm-85 -57.22 -48.84 77.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.06 179.255 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.42 ' CE1' ' CB ' ' B' ' 16' ' ' GLU . 0.2 OUTLIER -64.27 -22.78 67.07 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.616 179.313 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.468 ' CG ' ' CD1' ' B' ' 17' ' ' ILE . 0.0 OUTLIER -77.59 -30.13 52.33 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.87 179.968 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -74.41 -36.8 63.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.468 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.6 m -73.8 -42.66 60.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.904 179.872 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.444 HG13 ' N ' ' B' ' 14' ' ' ALA . 0.0 OUTLIER -76.69 -21.69 14.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.222 179.897 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.414 ' CB ' ' O ' ' A' ' 28' ' ' LYS . 3.9 ttmt -83.76 -28.46 28.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.927 0.394 . . . . 0.0 110.374 179.527 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.331 -0.215 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.505 179.71 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 26.8 t . . . . . 0 N--CA 1.454 -0.227 0 CA-C-O 121.061 0.458 . . . . 0.0 109.835 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.558 ' CD2' ' CE1' ' B' ' 13' ' ' HIS . 0.2 OUTLIER -73.54 -48.22 34.72 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.859 179.539 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . 0.558 ' CE1' ' CD2' ' B' ' 12' ' ' HIS . 14.2 m-70 -63.89 -30.95 71.99 Favored 'General case' 0 CA--C 1.521 -0.153 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 178.968 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . 0.444 ' N ' HG13 ' A' ' 31' ' ' ILE . . . -65.23 -39.47 92.78 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.248 179.659 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 43.6 mttt -71.56 -23.59 61.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.36 179.265 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.449 ' OE2' ' CE1' ' B' ' 12' ' ' HIS . 0.3 OUTLIER -74.88 -41.94 58.81 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.15 -179.979 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.468 ' CD1' ' CG ' ' A' ' 28' ' ' LYS . 2.2 tt -74.33 -34.24 36.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.791 0.329 . . . . 0.0 110.653 179.869 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -76.01 -29.36 58.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.493 179.616 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 18.9 ttp85 -73.37 -44.13 59.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.663 179.808 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.454 ' CB ' ' CG2' ' A' ' 24' ' ' ILE . 10.8 mt -66.28 -34.6 78.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.1 179.511 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.8 -44.17 96.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.562 179.695 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 7.2 mtpp -58.49 -46.58 86.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.613 179.747 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -57.67 -43.8 85.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.009 179.878 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . 0.464 ' CG2' ' CB ' ' A' ' 20' ' ' LEU . 0.6 OUTLIER -63.04 -31.2 51.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.993 0.425 . . . . 0.0 110.203 179.927 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . 0.428 ' N ' HG13 ' B' ' 24' ' ' ILE . 52.5 tt0 -61.67 -45.89 92.09 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.125 179.569 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 2.8 ttm-85 -57.22 -48.82 77.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.066 179.223 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . 0.424 ' CE1' ' CB ' ' A' ' 16' ' ' GLU . 0.2 OUTLIER -64.32 -22.84 67.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.617 179.318 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.474 ' CG ' ' CD1' ' A' ' 17' ' ' ILE . 0.0 OUTLIER -77.57 -30.15 52.47 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 179.942 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -74.25 -36.82 63.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.606 179.832 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 3.6 m -73.87 -42.52 60.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.831 179.881 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . 0.429 HG13 ' N ' ' A' ' 14' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.173 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.436 ' HB2' ' CD1' ' B' ' 31' ' ' ILE . 16.3 m-70 . . . . . 0 CA--C 1.522 -0.121 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.45 ' N ' HD12 ' B' ' 31' ' ' ILE . . . -66.88 -49.58 65.17 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.179 179.694 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.6 tttt -68.14 -19.44 64.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.423 179.004 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -78.4 -38.39 41.73 Favored 'General case' 0 C--N 1.334 -0.087 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.476 -179.828 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.434 HG13 ' CB ' ' B' ' 28' ' ' LYS . 0.0 OUTLIER -78.35 -27.97 14.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.836 0.351 . . . . 0.0 110.788 179.872 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -80.56 -34.45 35.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.376 179.423 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.3 mmt85 -73.45 -39.75 64.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.273 179.538 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.475 ' CD1' ' CD1' ' B' ' 20' ' ' LEU . 0.0 OUTLIER -66.52 -40.85 89.39 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.145 179.464 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -60.32 -42.37 95.44 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.654 179.62 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.4 ttmt -59.94 -40.65 89.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.599 179.726 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.41 -47.88 83.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.107 179.946 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.43 ' CG2' ' HB3' ' B' ' 20' ' ' LEU . 0.6 OUTLIER -58.7 -36.14 58.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.048 0.451 . . . . 0.0 110.084 179.914 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.42 ' N ' HG13 ' A' ' 24' ' ' ILE . 0.5 OUTLIER -59.59 -43.95 93.51 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.435 179.632 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -55.75 -49.14 73.9 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.074 179.451 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -63.43 -25.92 68.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.283 179.265 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.455 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 5.5 ttmt -76.54 -25.37 54.03 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.869 179.911 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -75.72 -40.1 56.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.608 179.788 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 19.1 m -68.8 -41.73 78.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.88 179.812 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.455 ' CG2' ' HA ' ' A' ' 28' ' ' LYS . 4.2 tp -72.64 -26.42 23.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.949 179.884 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -75.99 -34.39 59.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.543 179.611 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.0 tmmm? . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.438 179.574 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 81.1 p . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 120.98 0.419 . . . . 0.0 109.939 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.532 ' CD2' ' ND1' ' B' ' 13' ' ' HIS . 0.5 OUTLIER -78.24 -48.83 14.92 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.822 -0.627 . . . . 0.0 109.903 179.428 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . 0.532 ' ND1' ' CD2' ' B' ' 12' ' ' HIS . 16.3 m-70 -66.82 -25.85 66.65 Favored 'General case' 0 C--N 1.333 -0.13 0 C-N-CA 120.433 -0.507 . . . . 0.0 109.931 178.804 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . 0.449 ' N ' HD12 ' A' ' 31' ' ' ILE . . . -66.93 -49.61 64.99 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.14 179.672 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 17.5 tttt -68.08 -19.48 64.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.453 178.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -78.38 -38.42 41.81 Favored 'General case' 0 C--N 1.334 -0.077 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.442 -179.806 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.426 HG13 ' CB ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -78.37 -27.95 14.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.843 0.354 . . . . 0.0 110.768 179.924 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -80.5 -34.5 35.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.401 179.381 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 2.4 mmt85 -73.43 -39.67 64.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.3 179.531 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.475 ' CD1' ' CD1' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -66.65 -40.82 88.83 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.108 179.519 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -60.32 -42.33 95.37 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.659 179.619 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 3.4 ttmt -59.96 -40.72 90.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.575 179.728 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.33 -47.9 83.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 179.934 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . 0.435 ' CG2' ' HB3' ' A' ' 20' ' ' LEU . 0.6 OUTLIER -58.73 -36.13 59.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.01 0.433 . . . . 0.0 110.045 179.949 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . 0.423 ' N ' HG13 ' B' ' 24' ' ' ILE . 0.5 OUTLIER -59.58 -44.02 93.45 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.427 179.623 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -55.69 -49.13 73.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.07 179.44 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -63.47 -25.93 68.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.271 179.279 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.444 ' HA ' ' CG2' ' B' ' 31' ' ' ILE . 5.4 ttmt -76.51 -25.34 54.09 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.879 179.886 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -75.8 -40.1 55.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.569 179.811 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 19.2 m -68.81 -41.75 78.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.851 179.853 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . 0.45 HD12 ' N ' ' A' ' 14' ' ' ALA . 4.2 tp . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.931 179.94 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.445 ' HB3' ' HB ' ' B' ' 31' ' ' ILE . 16.1 m-70 . . . . . 0 N--CA 1.454 -0.227 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.407 ' O ' HG21 ' A' ' 17' ' ' ILE . . . -65.83 -34.94 79.31 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-O 121.243 0.544 . . . . 0.0 109.95 179.215 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.7 ttpt -74.43 -24.71 59.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.053 178.829 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.478 ' HG2' ' CE1' ' B' ' 27' ' ' HIS . 0.0 OUTLIER -74.09 -42.9 59.4 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.601 179.998 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.476 ' CD1' ' CB ' ' B' ' 28' ' ' LYS . 1.4 tt -74.79 -27.32 20.35 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-O 120.894 0.378 . . . . 0.0 110.417 179.642 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.99 -36.2 59.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.82 179.649 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -73.28 -43.01 61.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.63 179.799 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.44 ' HB3' ' CG2' ' B' ' 24' ' ' ILE . 1.4 tp -68.62 -33.01 73.3 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.013 179.627 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.42 -41.73 96.44 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.394 179.418 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.48 -46.02 91.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.41 179.554 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.421 ' CG ' HD22 ' B' ' 20' ' ' LEU . 0.2 OUTLIER -56.63 -44.78 81.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.75 179.645 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.441 ' CG2' ' HB3' ' B' ' 20' ' ' LEU . 0.6 OUTLIER -68.4 -24.19 29.24 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.054 179.629 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.44 ' HA ' ' CG ' ' A' ' 28' ' ' LYS . 0.2 OUTLIER -73.84 -25.64 60.18 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.553 179.84 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -78.0 -45.83 22.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.448 179.644 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.476 ' CG ' ' HB3' ' B' ' 16' ' ' GLU . 1.2 m-70 -72.74 -25.83 61.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.089 179.842 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.479 ' CB ' ' CD1' ' B' ' 17' ' ' ILE . 0.0 OUTLIER -80.96 -29.73 35.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.82 0.343 . . . . 0.0 110.279 179.659 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -70.46 -39.71 74.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.392 179.532 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.68 -44.26 67.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.749 179.767 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.454 ' HB ' ' HB3' ' B' ' 13' ' ' HIS . 0.0 OUTLIER -70.12 -23.64 25.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.145 -179.948 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.423 ' CD ' ' O ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -78.44 -33.34 48.54 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.618 179.611 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.9 mttm . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.594 179.831 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 1.5 t . . . . . 0 N--CA 1.455 -0.211 0 N-CA-C 109.724 -0.472 . . . . 0.0 109.724 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.532 ' CD2' ' ND1' ' B' ' 13' ' ' HIS . 0.3 OUTLIER -69.8 -50.3 44.35 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.513 179.194 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . 0.532 ' ND1' ' CD2' ' B' ' 12' ' ' HIS . 16.4 m-70 -63.51 -27.6 69.38 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 178.633 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . 0.41 ' O ' HG21 ' B' ' 17' ' ' ILE . . . -65.93 -34.85 79.07 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.211 0.529 . . . . 0.0 109.891 179.252 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 4.8 ttpt -74.56 -24.66 58.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.934 178.895 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.476 ' HB3' ' CG ' ' A' ' 27' ' ' HIS . 0.0 OUTLIER -74.18 -42.79 59.31 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.552 -179.979 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.479 ' CD1' ' CB ' ' A' ' 28' ' ' LYS . 1.4 tt -74.86 -27.38 20.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.793 0.33 . . . . 0.0 110.318 179.64 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.01 -36.23 59.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.746 179.731 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -73.26 -43.1 61.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.62 179.806 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.441 ' HB3' ' CG2' ' A' ' 24' ' ' ILE . 1.4 tp -68.55 -32.95 73.24 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.073 179.567 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.44 -41.74 96.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.378 179.439 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.48 -46.01 91.64 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.444 179.551 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . 0.426 ' CG ' HD22 ' A' ' 20' ' ' LEU . 0.3 OUTLIER -56.74 -44.65 81.88 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.768 179.711 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . 0.44 ' CG2' ' HB3' ' A' ' 20' ' ' LEU . 0.6 OUTLIER -68.45 -24.25 29.2 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.022 179.579 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . 0.44 ' HA ' ' CG ' ' B' ' 28' ' ' LYS . 0.2 OUTLIER -73.78 -25.65 60.24 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.605 179.809 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -77.98 -45.91 22.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.411 179.662 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . 0.478 ' CE1' ' HG2' ' A' ' 16' ' ' GLU . 1.2 m-70 -72.68 -25.83 61.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.072 179.873 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.476 ' CB ' ' CD1' ' A' ' 17' ' ' ILE . 0.0 OUTLIER -80.99 -29.73 35.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.925 0.393 . . . . 0.0 110.294 179.669 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -70.52 -39.54 74.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.392 179.539 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.78 -44.28 66.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.695 179.758 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . 0.445 ' HB ' ' HB3' ' A' ' 13' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.213 -179.956 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.455 ' HB2' ' CD1' ' B' ' 31' ' ' ILE . 11.0 m-70 . . . . . 0 C--O 1.224 -0.246 0 N-CA-C 110.369 -0.234 . . . . 0.0 110.369 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.454 ' N ' HD12 ' B' ' 31' ' ' ILE . . . -65.41 -56.37 12.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.875 0.369 . . . . 0.0 110.236 -179.944 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.4 ' O ' ' CG ' ' A' ' 19' ' ' ARG . 0.2 OUTLIER -64.15 -15.82 60.6 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.228 178.676 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.484 ' HG2' ' CE1' ' B' ' 27' ' ' HIS . 12.8 tp10 -82.6 -33.78 27.87 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.041 179.887 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.432 ' CG2' HG23 ' B' ' 31' ' ' ILE . 1.1 pp -74.57 -36.43 41.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 CA-C-O 120.928 0.394 . . . . 0.0 110.554 179.684 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -76.18 -41.53 49.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.403 179.443 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.4 ' CG ' ' O ' ' A' ' 15' ' ' LYS . 1.4 mmp_? -70.94 -26.45 63.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.444 179.565 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.441 ' HB3' ' CG2' ' B' ' 24' ' ' ILE . 1.4 mm? -70.98 -43.47 67.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.99 179.354 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -59.55 -49.29 78.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.651 179.617 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.35 -34.29 77.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.936 0.398 . . . . 0.0 110.621 179.837 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -64.85 -34.88 79.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.952 179.896 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.447 ' CG2' ' CG2' ' B' ' 24' ' ' ILE . 0.5 OUTLIER -67.67 -42.74 86.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.009 0.433 . . . . 0.0 109.95 179.889 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.421 ' N ' HG13 ' A' ' 24' ' ' ILE . 2.5 tt0 -59.81 -41.57 91.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.306 179.504 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.19 -38.66 83.95 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.235 179.435 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.477 ' CE1' ' HG2' ' B' ' 16' ' ' GLU . 0.8 OUTLIER -66.36 -28.27 68.52 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.06 179.282 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.457 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 32.8 mtpt -72.82 -30.88 64.4 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.672 179.59 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -70.63 -40.63 72.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.673 179.867 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.47 -44.14 75.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.904 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.457 ' CG2' ' HA ' ' A' ' 28' ' ' LYS . 5.4 tp -70.35 -25.78 27.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.194 -179.94 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.9 mtpt -79.21 -32.91 44.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.025 179.926 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.8 tttt . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 179.946 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 21.2 m . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.88 0.371 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.427 ' CD2' ' ND1' ' B' ' 13' ' ' HIS . 0.2 OUTLIER -72.31 -43.36 64.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.314 -179.976 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . 0.448 ' HB2' ' CD1' ' A' ' 31' ' ' ILE . 11.2 m-70 -61.11 -32.65 72.33 Favored 'General case' 0 CA--C 1.519 -0.219 0 C-N-CA 120.914 -0.314 . . . . 0.0 110.437 179.576 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . 0.454 ' N ' HD12 ' A' ' 31' ' ' ILE . . . -65.36 -56.22 13.8 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.247 -179.947 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . 0.408 ' O ' ' CG ' ' B' ' 19' ' ' ARG . 0.2 OUTLIER -64.38 -15.68 60.91 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.181 178.688 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.477 ' HG2' ' CE1' ' A' ' 27' ' ' HIS . 12.6 tp10 -82.66 -33.82 27.64 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.964 179.857 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.435 ' CG2' ' O ' ' B' ' 13' ' ' HIS . 1.1 pp -74.6 -36.54 41.28 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.158 0 CA-C-O 121.002 0.429 . . . . 0.0 110.565 179.739 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -76.37 -40.96 49.7 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.369 179.475 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . 0.408 ' CG ' ' O ' ' B' ' 15' ' ' LYS . 1.5 mmp_? -71.28 -26.2 62.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.458 179.501 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.436 ' HB3' ' CG2' ' A' ' 24' ' ' ILE . 1.4 mm? -71.1 -43.7 67.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.004 179.483 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -60.39 -47.69 85.0 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.562 179.506 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.59 -31.68 72.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.659 179.737 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . 0.409 ' OE1' ' CD1' ' A' ' 20' ' ' LEU . 33.2 tt0 -69.77 -34.15 73.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.08 -179.883 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . 0.447 ' CG2' ' CG2' ' A' ' 24' ' ' ILE . 0.5 OUTLIER -67.67 -42.56 86.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.036 0.446 . . . . 0.0 110.063 179.858 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . 0.419 ' N ' HG13 ' B' ' 24' ' ' ILE . 2.4 tt0 -59.99 -41.58 92.37 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.238 179.425 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.13 -38.37 82.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.234 179.388 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . 0.484 ' CE1' ' HG2' ' A' ' 16' ' ' GLU . 0.8 OUTLIER -66.69 -28.28 68.32 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.978 179.31 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.453 ' HA ' ' CG2' ' B' ' 31' ' ' ILE . 33.0 mtpt -73.02 -30.64 63.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.635 179.694 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -70.8 -40.56 72.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.807 179.729 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.43 -44.2 75.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.803 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . 0.455 ' CD1' ' HB2' ' A' ' 13' ' ' HIS . 5.4 tp . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.233 -179.943 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.44 ' HB3' ' HB ' ' B' ' 31' ' ' ILE . 19.4 m-70 . . . . . 0 N--CA 1.457 -0.106 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.82 -46.0 73.1 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.322 179.795 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.413 ' O ' ' CB ' ' A' ' 19' ' ' ARG . 9.9 tttp -70.99 -20.28 62.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.584 179.328 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.472 ' HG2' ' CE1' ' B' ' 27' ' ' HIS . 0.0 OUTLIER -80.0 -35.63 37.1 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.48 -179.858 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.402 HG12 HD11 ' B' ' 24' ' ' ILE . 0.0 OUTLIER -79.6 -33.68 15.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.842 0.353 . . . . 0.0 110.587 179.882 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -80.13 -30.84 39.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.495 179.48 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.429 ' O ' ' CG ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -76.7 -38.93 53.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.628 179.779 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.475 HD13 ' CD2' ' B' ' 27' ' ' HIS . 17.6 mt -71.36 -33.97 70.04 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.331 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -45.77 88.71 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.948 179.781 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.429 ' CG ' ' O ' ' A' ' 19' ' ' ARG . 6.0 pttt -61.69 -40.87 96.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.939 0.4 . . . . 0.0 110.464 179.737 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.417 ' N ' ' HG3' ' A' ' 22' ' ' LYS . 0.3 OUTLIER -59.69 -42.77 93.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.834 179.681 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.434 HG13 ' N ' ' A' ' 25' ' ' GLU . 0.7 OUTLIER -63.58 -31.83 54.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 121.064 0.459 . . . . 0.0 110.049 179.771 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.434 ' N ' HG13 ' A' ' 24' ' ' ILE . 4.3 tt0 -61.57 -43.66 98.44 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.184 179.506 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -58.81 -50.84 72.45 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.192 179.308 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.477 ' CG ' ' HB3' ' B' ' 16' ' ' GLU . 21.2 m-70 -65.51 -19.44 65.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.492 179.184 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.434 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 4.6 ttmt -77.62 -32.53 53.51 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.702 179.826 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -72.8 -39.72 66.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.582 179.929 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.52 -39.7 77.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.832 179.811 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.435 HD12 ' N ' ' B' ' 14' ' ' ALA . 7.2 tp -74.53 -26.66 20.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.205 -179.957 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.2 ttmt -79.99 -29.79 39.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.761 179.896 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.3 tptt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.608 179.779 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.249 0 CA-C-O 121.025 0.441 . . . . 0.0 109.869 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.533 ' CD2' ' ND1' ' B' ' 13' ' ' HIS . 0.5 OUTLIER -79.0 -48.56 14.22 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.846 179.389 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . 0.533 ' ND1' ' CD2' ' B' ' 12' ' ' HIS . 17.6 m-70 -68.25 -26.78 65.85 Favored 'General case' 0 CA--C 1.522 -0.103 0 C-N-CA 120.494 -0.482 . . . . 0.0 109.923 178.706 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . 0.435 ' N ' HD12 ' A' ' 31' ' ' ILE . . . -68.04 -45.78 72.97 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.379 -179.921 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . 0.417 ' O ' ' CB ' ' B' ' 19' ' ' ARG . 9.7 tttp -71.43 -20.12 62.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.526 179.187 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.477 ' HB3' ' CG ' ' A' ' 27' ' ' HIS . 0.0 OUTLIER -80.28 -35.79 35.39 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.54 -179.876 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -79.89 -33.1 14.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.832 0.349 . . . . 0.0 110.531 179.834 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -80.33 -30.83 38.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.508 179.36 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . 0.425 ' O ' ' CG ' ' B' ' 22' ' ' LYS . 0.0 OUTLIER -76.92 -38.67 52.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.708 179.721 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.455 HD13 ' CD2' ' A' ' 27' ' ' HIS . 17.1 mt -71.76 -33.18 68.43 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 179.286 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.4 -45.87 85.78 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.833 179.605 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . 0.425 ' CG ' ' O ' ' B' ' 19' ' ' ARG . 6.1 pttt -61.58 -40.9 96.44 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.878 0.37 . . . . 0.0 110.444 179.83 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . 0.415 ' N ' ' HG3' ' B' ' 22' ' ' LYS . 0.3 OUTLIER -59.6 -43.27 93.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.779 179.69 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . 0.43 ' CG2' ' O ' ' B' ' 20' ' ' LEU . 0.7 OUTLIER -63.58 -31.04 51.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.998 0.428 . . . . 0.0 110.029 179.873 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . 0.41 ' N ' HG13 ' B' ' 24' ' ' ILE . 4.2 tt0 -62.23 -43.59 98.49 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.139 179.605 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -58.71 -49.79 76.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.041 179.317 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . 0.475 ' CD2' HD13 ' A' ' 20' ' ' LEU . 21.4 m-70 -65.73 -21.17 66.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.67 179.422 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.445 ' HA ' ' CG2' ' B' ' 31' ' ' ILE . 15.6 ttpt -75.83 -33.57 60.07 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.546 179.652 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -71.5 -38.33 71.17 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.492 179.933 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.22 -41.78 69.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.168 179.892 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . 0.445 ' CG2' ' HA ' ' B' ' 28' ' ' LYS . 4.5 tp . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.139 -179.942 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.428 ' HB2' ' CD1' ' B' ' 31' ' ' ILE . 9.2 m-70 . . . . . 0 CA--C 1.521 -0.164 0 CA-C-O 120.808 0.337 . . . . 0.0 110.241 . . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.11 -47.73 70.27 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.873 179.587 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.68 -17.52 64.61 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.255 178.716 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.473 ' HB3' ' CE1' ' B' ' 27' ' ' HIS . 25.7 mm-40 -77.15 -47.79 19.42 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.433 -179.846 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.47 ' CD1' ' CB ' ' B' ' 28' ' ' LYS . 3.4 tt -73.84 -28.16 23.79 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-O 120.921 0.391 . . . . 0.0 110.644 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -79.34 -32.2 43.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.227 179.371 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 37.7 ttt180 -70.03 -45.0 68.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.542 179.567 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.455 ' CB ' ' CG2' ' B' ' 24' ' ' ILE . 4.1 mt -66.07 -38.22 87.77 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.108 179.498 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -62.28 -34.24 76.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.547 179.673 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.7 ttmt -63.88 -50.63 68.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.431 179.513 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -56.55 -42.8 79.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.834 179.721 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.446 ' CG2' ' CB ' ' B' ' 20' ' ' LEU . 0.6 OUTLIER -64.19 -30.06 49.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.813 179.696 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.412 ' N ' HG13 ' A' ' 24' ' ' ILE . 5.2 tt0 -60.99 -46.29 91.33 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.112 179.47 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 63.3 ttt180 -58.5 -46.05 87.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.126 0.489 . . . . 0.0 110.045 179.217 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.476 ' CE1' ' HB3' ' B' ' 16' ' ' GLU . 0.3 OUTLIER -66.62 -21.53 66.12 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.994 179.518 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.465 ' CB ' ' CD1' ' B' ' 17' ' ' ILE . 0.0 OUTLIER -80.93 -25.94 37.08 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.836 0.35 . . . . 0.0 110.744 -179.993 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -73.81 -43.15 59.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.148 179.602 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.23 -49.21 68.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.663 179.577 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.464 ' CG2' ' HA ' ' A' ' 28' ' ' LYS . 4.3 tp -67.9 -27.37 37.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.173 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.423 ' CB ' ' O ' ' A' ' 28' ' ' LYS . 21.2 ttmt -79.21 -21.14 46.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.981 179.784 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.351 -179.807 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 3.6 p . . . . . 0 N--CA 1.451 -0.41 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.526 ' CD2' ' CE1' ' B' ' 13' ' ' HIS . 0.0 OUTLIER -68.9 -45.81 69.94 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.603 178.732 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . 0.526 ' CE1' ' CD2' ' B' ' 12' ' ' HIS . 9.2 m-70 -59.98 -27.75 67.1 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.234 179.158 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.46 -48.07 71.08 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.876 179.701 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.36 -17.32 64.7 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.285 178.566 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.476 ' HB3' ' CE1' ' A' ' 27' ' ' HIS . 25.7 mm-40 -77.21 -47.54 19.97 Favored 'General case' 0 CA--C 1.528 0.113 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.582 -179.904 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.465 ' CD1' ' CB ' ' A' ' 28' ' ' LYS . 3.4 tt -74.1 -28.15 23.09 Favored 'Isoleucine or valine' 0 C--O 1.231 0.124 0 CA-C-O 120.93 0.395 . . . . 0.0 110.598 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -79.24 -32.26 43.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.263 179.344 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 37.3 ttt180 -70.19 -45.08 67.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.505 179.62 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.446 ' CB ' ' CG2' ' A' ' 24' ' ' ILE . 4.2 mt -65.9 -38.26 88.27 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.074 179.474 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -62.27 -34.35 76.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.591 179.63 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 13.6 ttmt -63.77 -50.41 69.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.488 179.555 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -56.86 -42.71 80.21 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.835 179.672 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . 0.455 ' CG2' ' CB ' ' A' ' 20' ' ' LEU . 0.6 OUTLIER -64.18 -29.67 47.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.066 0.46 . . . . 0.0 109.81 179.7 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' B' ' 28' ' ' LYS . 5.2 tt0 -61.57 -46.77 88.45 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.125 179.522 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 62.5 ttt180 -57.95 -45.99 85.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.101 0.477 . . . . 0.0 110.032 179.22 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . 0.473 ' CE1' ' HB3' ' A' ' 16' ' ' GLU . 0.3 OUTLIER -66.55 -22.56 66.15 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.894 179.589 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.47 ' CB ' ' CD1' ' A' ' 17' ' ' ILE . 0.0 OUTLIER -79.69 -26.27 41.0 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.804 0.335 . . . . 0.0 110.793 -179.962 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -73.77 -42.74 60.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.255 179.619 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.81 -47.74 71.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.866 179.667 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . 0.463 ' CG2' ' HA ' ' B' ' 28' ' ' LYS . 3.6 tp . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.985 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.432 ' HB2' ' CD1' ' B' ' 31' ' ' ILE . 3.4 m-70 . . . . . 0 CA--C 1.52 -0.174 0 CA-C-O 120.751 0.31 . . . . 0.0 110.272 . . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.8 -49.01 64.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.085 179.793 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 47.8 mttm -67.46 -20.42 65.48 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.48 179.07 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.45 ' CB ' ' CE1' ' B' ' 27' ' ' HIS . 6.9 mm-40 -77.09 -42.03 39.78 Favored 'General case' 0 C--N 1.334 -0.09 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.598 -179.752 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.428 ' O ' ' CD1' ' A' ' 17' ' ' ILE . 0.0 OUTLIER -77.93 -25.88 14.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.851 0.358 . . . . 0.0 110.604 179.883 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -80.07 -32.5 39.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.131 179.281 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.7 ttp85 -72.74 -47.49 46.47 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.299 179.453 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.441 ' HB3' ' CG2' ' B' ' 24' ' ' ILE . 2.9 mm? -65.05 -37.71 88.46 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.729 179.224 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.34 -35.12 78.11 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.328 179.453 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.6 ttpt -61.46 -51.02 70.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.392 179.602 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -56.86 -44.17 81.92 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.674 179.734 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.436 ' CG2' ' HB3' ' B' ' 20' ' ' LEU . 0.7 OUTLIER -62.66 -29.09 46.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.701 179.633 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -67.27 -36.21 81.11 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.301 179.689 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.48 -53.63 51.94 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.828 179.279 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.466 ' CE1' ' CB ' ' B' ' 16' ' ' GLU . 0.2 OUTLIER -64.79 -23.49 67.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.049 178.875 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.474 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 23.4 ttmt -77.81 -24.71 48.67 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.97 179.805 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -75.5 -42.95 51.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.382 179.748 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 50.7 m -66.37 -43.89 84.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.875 179.764 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.474 ' CG2' ' HA ' ' A' ' 28' ' ' LYS . 4.0 tp -70.18 -32.7 51.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.161 -179.9 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -76.66 -19.46 57.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.825 179.423 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.332 -0.182 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.263 -179.768 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.451 -0.407 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 . . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.575 ' CD2' ' CE1' ' B' ' 13' ' ' HIS . 0.0 OUTLIER -71.27 -39.3 71.63 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.961 179.1 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . 0.575 ' CE1' ' CD2' ' B' ' 12' ' ' HIS . 3.5 m-70 -66.3 -26.71 67.44 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-O 120.779 0.323 . . . . 0.0 110.284 179.034 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.6 -49.07 62.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.145 179.829 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 47.6 mttm -67.27 -20.69 65.68 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.454 179.001 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.466 ' CB ' ' CE1' ' A' ' 27' ' ' HIS . 7.0 mm-40 -76.64 -42.51 41.81 Favored 'General case' 0 CA--C 1.527 0.093 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.532 -179.883 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.416 ' CD1' ' O ' ' B' ' 17' ' ' ILE . 0.0 OUTLIER -77.4 -25.92 15.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.832 0.349 . . . . 0.0 110.647 179.913 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -80.0 -32.56 39.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.245 179.32 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 4.7 ttp85 -72.59 -47.37 48.47 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.311 179.458 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.436 ' HB3' ' CG2' ' A' ' 24' ' ' ILE . 2.9 mm? -65.34 -37.59 87.55 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.728 179.32 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.22 -35.32 78.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.296 179.392 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 14.6 ttpt -61.38 -51.12 70.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.423 179.635 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -56.72 -44.1 81.28 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.756 179.657 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . 0.441 ' CG2' ' HB3' ' A' ' 20' ' ' LEU . 0.7 OUTLIER -62.56 -29.36 46.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.656 179.637 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -67.03 -36.29 81.75 Favored 'General case' 0 N--CA 1.456 -0.144 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.341 179.704 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.38 -53.44 54.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.906 179.3 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . 0.45 ' CE1' ' CB ' ' A' ' 16' ' ' GLU . 0.2 OUTLIER -65.14 -22.99 67.0 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.142 178.79 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.467 ' HA ' ' CG2' ' B' ' 31' ' ' ILE . 22.9 ttmt -78.63 -23.91 45.58 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.969 179.838 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -76.23 -43.54 41.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.321 179.726 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 51.6 m -65.32 -44.81 86.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.734 179.538 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . 0.467 ' CG2' ' HA ' ' B' ' 28' ' ' LYS . 5.1 tp . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.284 179.99 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.447 ' HB3' ' HB ' ' B' ' 31' ' ' ILE . 18.2 m-70 . . . . . 0 CA--C 1.52 -0.177 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 . . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.31 -50.18 66.67 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.451 179.735 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.4 mtpm? -58.14 -32.06 67.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.062 179.344 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.481 ' HB3' ' CE1' ' B' ' 27' ' ' HIS . 0.0 OUTLIER -65.25 -51.28 61.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.946 179.794 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -62.35 -22.44 29.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.902 -179.98 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -76.16 -37.29 58.12 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.428 179.818 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -65.31 -51.38 60.99 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.199 179.444 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.421 ' CB ' HG21 ' B' ' 24' ' ' ILE . 4.5 mt -59.93 -43.62 94.81 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 179.192 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.448 ' NE2' ' NE2' ' B' ' 21' ' ' GLN . 0.4 OUTLIER -60.27 -29.31 68.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.354 179.476 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.0 ttpt -62.86 -48.22 79.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.991 179.481 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -59.27 -49.33 78.27 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.66 179.508 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.434 HG21 ' CB ' ' B' ' 20' ' ' LEU . 0.6 OUTLIER -60.37 -26.87 38.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.93 179.68 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -68.98 -35.58 76.88 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.02 179.532 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 11.4 ttt180 -62.01 -48.52 79.93 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.84 179.069 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.443 ' CE1' ' HB3' ' B' ' 16' ' ' GLU . 0.2 OUTLIER -66.05 -28.61 68.97 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.66 178.852 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.439 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 2.0 ttmt -76.65 -19.6 57.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.826 179.621 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.432 ' HA ' ' CD ' ' A' ' 32' ' ' LYS . 9.5 tt0 -78.19 -41.9 33.14 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.855 0.36 . . . . 0.0 110.495 179.845 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.64 -40.27 73.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.849 179.838 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.459 HG22 HD11 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -74.13 -33.37 35.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.316 -179.769 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.432 ' CD ' ' HA ' ' A' ' 29' ' ' GLN . 12.0 pttt -78.17 -24.48 47.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.748 0.309 . . . . 0.0 110.316 179.449 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.7 mtpt . . . . . 0 C--N 1.331 -0.218 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.376 179.494 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 . . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.526 ' CD2' ' ND1' ' B' ' 13' ' ' HIS . 0.7 OUTLIER -78.31 -51.76 9.64 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.424 179.064 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . 0.526 ' ND1' ' CD2' ' B' ' 12' ' ' HIS . 19.0 m-70 -63.89 -28.38 69.8 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 178.841 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.1 -50.35 66.43 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.425 179.746 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 3.3 mtpm? -57.63 -32.37 67.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.08 179.369 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.443 ' HB3' ' CE1' ' A' ' 27' ' ' HIS . 0.1 OUTLIER -64.87 -51.77 60.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.982 179.716 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -61.84 -22.4 28.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.907 -179.962 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -76.03 -37.41 58.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.468 179.835 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -65.43 -51.53 59.62 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.143 179.437 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.434 ' CB ' HG21 ' A' ' 24' ' ' ILE . 4.4 mt -59.91 -43.12 95.07 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.681 179.184 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . 0.448 ' NE2' ' NE2' ' A' ' 21' ' ' GLN . 0.4 OUTLIER -60.93 -28.98 69.34 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.36 179.413 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 5.0 ttpt -63.1 -47.98 80.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.973 179.435 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -59.47 -49.06 79.25 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.734 179.554 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . 0.421 HG21 ' CB ' ' A' ' 20' ' ' LEU . 0.6 OUTLIER -60.75 -26.83 39.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.854 179.618 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -68.82 -35.68 77.28 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.024 179.507 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 11.3 ttt180 -62.05 -48.39 80.46 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.683 179.074 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . 0.481 ' CE1' ' HB3' ' A' ' 16' ' ' GLU . 0.2 OUTLIER -66.26 -27.94 68.33 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.838 178.864 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.444 ' HA ' ' CG2' ' B' ' 31' ' ' ILE . 1.9 ttmt -77.64 -19.3 55.67 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.774 179.456 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -78.39 -41.79 32.16 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.545 179.768 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.63 -40.6 73.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.874 179.729 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . 0.447 ' HB ' ' HB3' ' A' ' 13' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.413 -179.838 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.449 ' HB2' ' CD1' ' B' ' 31' ' ' ILE . 14.8 m-70 . . . . . 0 N--CA 1.455 -0.187 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 . . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.448 ' N ' HD12 ' B' ' 31' ' ' ILE . . . -67.79 -49.65 61.19 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.351 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.0 mmtp -65.98 -22.44 66.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.177 179.075 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.519 ' CB ' ' CE1' ' B' ' 27' ' ' HIS . 3.6 mm-40 -76.08 -38.94 56.4 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.179 179.915 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.446 ' CG2' ' HB3' ' B' ' 27' ' ' HIS . 0.9 OUTLIER -72.74 -36.89 54.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-O 120.879 0.371 . . . . 0.0 110.933 -179.858 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -75.56 -26.71 58.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.388 179.527 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.6 ttt-85 -72.57 -45.74 57.74 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.704 179.776 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.425 ' HB2' ' CG2' ' B' ' 24' ' ' ILE . 1.2 mt -66.0 -37.48 86.03 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.903 0.383 . . . . 0.0 110.245 179.713 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -62.86 -38.5 91.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.426 179.557 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.5 ttpt -59.92 -48.92 79.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.351 179.545 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.63 -44.86 73.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.668 179.744 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.429 HG21 ' CB ' ' B' ' 20' ' ' LEU . 0.7 OUTLIER -61.53 -32.49 53.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 179.621 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.425 ' N ' HG13 ' A' ' 24' ' ' ILE . 1.2 tt0 -59.33 -44.7 92.59 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.139 179.46 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.1 ttp85 -60.84 -37.92 83.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.137 0.494 . . . . 0.0 109.99 179.234 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.516 ' CE1' ' CB ' ' B' ' 16' ' ' GLU . 0.2 OUTLIER -70.9 -23.38 62.27 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.594 179.623 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.471 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 0.0 OUTLIER -78.24 -27.75 47.68 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.946 0.403 . . . . 0.0 110.539 179.805 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.403 ' N ' ' HG3' ' A' ' 28' ' ' LYS . 16.7 tt0 -72.69 -43.68 62.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.254 179.479 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 86.7 p -66.37 -47.7 72.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.748 179.683 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.471 ' CG2' ' HA ' ' A' ' 28' ' ' LYS . 5.9 tp -69.8 -24.62 26.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.092 179.884 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.413 ' CB ' ' O ' ' A' ' 28' ' ' LYS . 6.8 ttmt -78.94 -25.62 43.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.757 179.769 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.6 mtmt . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.535 179.711 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 12.1 p . . . . . 0 N--CA 1.454 -0.267 0 CA-C-O 121.061 0.458 . . . . 0.0 109.771 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.528 ' CD2' ' ND1' ' B' ' 13' ' ' HIS . 0.7 OUTLIER -79.0 -48.48 14.37 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.806 179.343 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . 0.528 ' ND1' ' CD2' ' B' ' 12' ' ' HIS . 14.8 m-70 -66.74 -27.2 67.42 Favored 'General case' 0 CA--C 1.521 -0.169 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.027 179.008 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . 0.445 ' N ' HD12 ' A' ' 31' ' ' ILE . . . -67.72 -49.66 61.46 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.422 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 3.0 mmtp -65.97 -22.42 66.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.249 178.981 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.516 ' CB ' ' CE1' ' A' ' 27' ' ' HIS . 3.6 mm-40 -76.05 -39.07 56.34 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.154 179.9 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.445 ' CG2' HG23 ' A' ' 31' ' ' ILE . 0.9 OUTLIER -72.57 -37.05 55.62 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 CA-C-O 120.851 0.357 . . . . 0.0 110.925 -179.845 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -75.45 -26.76 58.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.414 179.555 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 10.6 ttt-85 -72.61 -45.7 57.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.688 179.777 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.429 ' CB ' HG21 ' A' ' 24' ' ' ILE . 1.2 mt -65.93 -37.59 86.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.967 0.413 . . . . 0.0 110.26 179.667 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -62.82 -38.43 90.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.421 179.596 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 2.5 ttpt -60.02 -48.85 80.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.364 179.588 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.66 -44.82 73.62 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.669 179.648 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . 0.425 ' CG2' ' HB2' ' A' ' 20' ' ' LEU . 0.7 OUTLIER -61.6 -32.45 53.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 179.658 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . 0.427 ' O ' ' CG ' ' B' ' 28' ' ' LYS . 1.2 tt0 -59.35 -44.7 92.62 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.163 179.439 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 13.1 ttp85 -60.89 -37.94 83.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.956 179.234 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . 0.519 ' CE1' ' CB ' ' A' ' 16' ' ' GLU . 0.2 OUTLIER -70.82 -23.4 62.35 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.622 179.576 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.465 ' HA ' ' CG2' ' B' ' 31' ' ' ILE . 0.0 OUTLIER -78.24 -27.74 47.68 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.916 0.388 . . . . 0.0 110.543 179.805 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -72.68 -43.75 62.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.233 179.478 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 86.5 p -66.36 -47.58 72.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.783 179.673 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . 0.465 ' CG2' ' HA ' ' B' ' 28' ' ' LYS . 5.9 tp . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.032 179.883 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.446 ' HB2' ' CD1' ' B' ' 31' ' ' ILE . 17.0 m-70 . . . . . 0 C--O 1.226 -0.151 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 . . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.442 ' N ' HD12 ' B' ' 31' ' ' ILE . . . -70.75 -44.77 66.08 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.604 -179.883 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 42.0 tttt -68.34 -28.27 67.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.079 0.466 . . . . 0.0 109.941 179.159 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.518 ' CB ' ' CE1' ' B' ' 27' ' ' HIS . 0.1 OUTLIER -69.21 -45.88 68.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.962 179.717 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.436 ' CG2' HG23 ' B' ' 31' ' ' ILE . 0.6 OUTLIER -65.49 -40.81 89.37 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 CA-C-O 120.983 0.42 . . . . 0.0 110.448 -179.957 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -66.21 -25.77 67.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.593 179.472 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.88 -48.52 58.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.118 -179.881 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.444 ' CB ' ' HB ' ' B' ' 24' ' ' ILE . 3.3 mm? -71.14 -25.43 62.57 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.805 0.336 . . . . 0.0 110.735 -179.929 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -77.49 -30.53 53.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.463 179.539 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.45 -42.22 71.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.257 179.493 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.426 ' HB3' ' CD1' ' B' ' 20' ' ' LEU . 0.4 OUTLIER -64.21 -46.99 81.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.639 179.6 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.448 ' HB ' ' CB ' ' B' ' 20' ' ' LEU . 0.0 OUTLIER -63.71 -27.83 43.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.227 179.527 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -63.75 -47.82 79.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.546 179.563 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -63.64 -40.82 97.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.478 179.656 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.526 ' CE1' ' CB ' ' B' ' 16' ' ' GLU . 0.2 OUTLIER -71.23 -19.66 62.34 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.62 179.399 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.455 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 13.6 ttmm -77.6 -33.52 53.79 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.42 179.655 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -71.81 -39.41 69.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.453 179.612 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.5 p -70.19 -43.73 70.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.049 179.79 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.455 ' CG2' ' HA ' ' A' ' 28' ' ' LYS . 5.2 tp -72.14 -24.53 22.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.047 179.933 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.32 -34.91 48.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.561 179.629 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.7 ttmt . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.417 179.581 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.243 0 CA-C-O 121.006 0.431 . . . . 0.0 109.945 . . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.527 ' CD2' ' ND1' ' B' ' 13' ' ' HIS . 0.6 OUTLIER -78.61 -46.03 20.24 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.898 179.55 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . 0.527 ' ND1' ' CD2' ' B' ' 12' ' ' HIS . 17.0 m-70 -70.25 -25.6 63.44 Favored 'General case' 0 C--O 1.225 -0.208 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.26 178.942 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . 0.436 ' N ' HD12 ' A' ' 31' ' ' ILE . . . -70.88 -44.54 66.1 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.616 -179.822 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 41.7 tttt -68.49 -28.2 66.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.024 0.44 . . . . 0.0 109.961 179.161 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.526 ' CB ' ' CE1' ' A' ' 27' ' ' HIS . 0.1 OUTLIER -69.23 -46.05 68.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.949 179.717 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.438 ' CG2' ' HB3' ' A' ' 27' ' ' HIS . 0.6 OUTLIER -65.34 -40.79 89.59 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.175 0 CA-C-O 121.001 0.429 . . . . 0.0 110.427 -179.978 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -66.32 -25.72 66.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.617 179.476 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.84 -48.42 58.99 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.16 -179.998 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.448 ' CB ' ' HB ' ' A' ' 24' ' ' ILE . 3.2 mm? -71.21 -25.42 62.5 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.841 0.353 . . . . 0.0 110.747 -179.92 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -77.49 -30.62 53.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.45 179.516 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.42 -42.28 71.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.207 179.485 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . 0.415 ' HB3' ' CD1' ' A' ' 20' ' ' LEU . 0.4 OUTLIER -64.23 -46.99 81.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.592 179.664 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . 0.444 ' HB ' ' CB ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -63.7 -27.71 43.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.861 0.362 . . . . 0.0 110.309 179.474 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -63.9 -47.73 79.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.472 179.553 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -63.64 -40.83 97.85 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.513 179.642 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . 0.518 ' CE1' ' CB ' ' A' ' 16' ' ' GLU . 0.2 OUTLIER -71.16 -19.82 62.37 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.574 179.378 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.45 ' HA ' ' CG2' ' B' ' 31' ' ' ILE . 13.6 ttmm -77.37 -33.55 55.23 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.498 179.682 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -71.8 -39.43 69.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.474 179.616 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 10.7 p -70.3 -43.46 70.32 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.006 179.843 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . 0.45 ' CG2' ' HA ' ' B' ' 28' ' ' LYS . 5.2 tp . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.05 179.977 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.425 ' O ' ' CG2' ' A' ' 17' ' ' ILE . 9.3 m-70 . . . . . 0 C--O 1.225 -0.202 0 CA-C-O 120.497 0.189 . . . . 0.0 110.806 . . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.435 ' N ' HD12 ' B' ' 31' ' ' ILE . . . -69.27 -53.14 21.3 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 179.954 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.401 ' O ' ' CG ' ' A' ' 19' ' ' ARG . 2.7 mmtt -65.74 -15.23 62.64 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.296 178.724 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.478 ' HG2' ' CE1' ' B' ' 27' ' ' HIS . 16.7 tp10 -82.87 -37.75 23.88 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.942 179.792 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.434 ' CG2' HG23 ' B' ' 31' ' ' ILE . 1.0 OUTLIER -73.28 -37.62 52.22 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 CA-C-O 120.892 0.377 . . . . 0.0 110.706 179.814 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -75.05 -36.05 61.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.569 179.655 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.407 ' O ' ' CG ' ' A' ' 22' ' ' LYS . 1.1 mmm-85 -71.24 -32.98 69.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.716 179.835 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.417 ' O ' ' CG2' ' A' ' 24' ' ' ILE . 17.9 mt -70.18 -39.02 75.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.211 179.579 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.29 -45.23 94.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.939 179.846 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.407 ' CG ' ' O ' ' A' ' 19' ' ' ARG . 1.8 ptmt -63.82 -34.2 77.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.848 0.356 . . . . 0.0 110.737 179.945 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -67.27 -37.9 84.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.111 179.896 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.426 HG13 ' N ' ' A' ' 25' ' ' GLU . 0.5 OUTLIER -64.62 -40.5 89.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.11 0.481 . . . . 0.0 110.212 179.848 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.426 ' N ' HG13 ' A' ' 24' ' ' ILE . 7.9 tt0 -61.12 -41.5 96.82 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.52 179.627 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.4 ttt85 -57.49 -44.14 84.72 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.978 179.374 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.477 ' CE1' ' HG2' ' B' ' 16' ' ' GLU . 0.2 OUTLIER -69.13 -24.73 64.13 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.922 178.985 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.462 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 17.2 ttmt -73.09 -26.89 61.42 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.822 179.826 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -77.04 -42.5 38.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.456 179.694 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.06 -40.64 87.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.01 179.886 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.462 ' CG2' ' HA ' ' A' ' 28' ' ' LYS . 3.9 tp -71.34 -35.67 58.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 -179.924 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.5 ttpp -74.71 -20.63 59.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.975 179.751 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.7 tttp . . . . . 0 C--N 1.332 -0.156 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.504 -179.591 . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 2.8 t . . . . . 0 C--O 1.235 0.308 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -72.18 -33.51 67.73 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.875 179.235 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . 0.435 ' O ' ' CG2' ' B' ' 17' ' ' ILE . 9.3 m-70 -66.65 -31.94 72.95 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.847 179.653 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . 0.435 ' N ' HD12 ' A' ' 31' ' ' ILE . . . -69.35 -53.09 21.28 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 179.962 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt -65.66 -15.42 62.76 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.319 178.686 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.477 ' HG2' ' CE1' ' A' ' 27' ' ' HIS . 16.7 tp10 -82.61 -37.89 24.36 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.957 179.776 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.435 ' CG2' ' O ' ' B' ' 13' ' ' HIS . 1.0 OUTLIER -73.36 -37.4 51.24 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 CA-C-O 120.931 0.396 . . . . 0.0 110.789 179.883 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -75.22 -35.56 61.46 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.604 179.603 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . 0.412 ' O ' ' CG ' ' B' ' 22' ' ' LYS . 1.1 mmm-85 -71.6 -33.15 68.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.686 179.844 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.427 ' O ' ' CG2' ' B' ' 24' ' ' ILE . 17.1 mt -70.38 -38.57 74.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.123 179.496 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.43 -46.29 90.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.78 179.669 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . 0.412 ' CG ' ' O ' ' B' ' 19' ' ' ARG . 1.8 ptmt -63.93 -34.18 77.4 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 180.0 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -67.15 -37.63 84.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.079 179.991 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . 0.429 HG13 ' N ' ' B' ' 25' ' ' GLU . 0.5 OUTLIER -65.0 -40.56 89.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.959 0.409 . . . . 0.0 110.074 179.899 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . 0.429 ' N ' HG13 ' B' ' 24' ' ' ILE . 7.9 tt0 -60.97 -41.55 96.61 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.541 179.661 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 1.4 ttt85 -57.58 -44.19 85.13 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.046 179.395 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . 0.478 ' CE1' ' HG2' ' A' ' 16' ' ' GLU . 0.2 OUTLIER -69.07 -24.68 64.19 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.86 178.976 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.478 ' HA ' ' CG2' ' B' ' 31' ' ' ILE . 17.3 ttmt -73.13 -26.9 61.4 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.828 179.867 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -77.0 -42.55 38.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.461 179.689 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.05 -40.5 87.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.046 179.877 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . 0.478 ' CG2' ' HA ' ' B' ' 28' ' ' LYS . 3.8 tp . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.956 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 . . . . . 0 N--CA 1.462 0.158 0 CA-C-O 120.66 0.266 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.54 -40.18 30.15 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-O 120.909 0.385 . . . . 0.0 110.662 -179.777 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.71 -25.08 49.1 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.423 179.249 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.29 -38.03 31.58 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.835 179.699 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.438 HG12 HD12 ' B' ' 24' ' ' ILE . 0.0 OUTLIER -76.03 -34.74 27.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.718 179.719 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -78.46 -27.79 46.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.882 0.372 . . . . 0.0 110.826 179.79 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.2 ttt85 -80.31 -34.64 36.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.35 -179.77 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.491 ' CB ' ' HB ' ' B' ' 24' ' ' ILE . 89.5 mt -79.73 -26.41 40.79 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 179.995 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.424 ' HB2' HG13 ' B' ' 24' ' ' ILE . 0.6 OUTLIER -75.0 -39.01 61.44 Favored 'General case' 0 C--N 1.333 -0.136 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 178.575 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.9 ttpt -61.94 -46.9 87.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.163 179.257 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.95 -51.57 69.48 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.506 179.57 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.491 ' HB ' ' CB ' ' B' ' 20' ' ' LEU . 0.0 OUTLIER -64.84 -19.0 24.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.927 179.516 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -71.17 -39.41 71.91 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.079 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.3 mtp180 -66.08 -49.2 68.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.221 179.259 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.427 ' O ' ' CG2' ' A' ' 31' ' ' ILE . 3.2 m-70 -66.43 -23.89 66.37 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.319 179.256 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.452 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 0.7 OUTLIER -78.22 -24.82 46.86 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.045 179.975 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -78.4 -38.18 42.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.481 179.725 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.22 -42.91 62.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.71 179.721 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.452 ' CG2' ' HA ' ' A' ' 28' ' ' LYS . 4.3 tp -73.23 -30.9 32.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.942 179.938 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.423 ' CB ' ' O ' ' A' ' 28' ' ' LYS . 3.5 ttpm? -79.56 -23.43 42.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.5 179.274 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.1 ttmt . . . . . 0 C--N 1.331 -0.228 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.001 179.92 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.233 0.232 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 . . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.579 ' CD2' ' CE1' ' B' ' 13' ' ' HIS . 0.0 OUTLIER -66.21 -33.87 76.73 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 115.762 -0.653 . . . . 0.0 109.686 179.103 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . 0.579 ' CE1' ' CD2' ' B' ' 12' ' ' HIS . 10.1 m-70 -73.55 -18.13 61.11 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.088 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.54 -39.93 30.73 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-O 120.922 0.391 . . . . 0.0 110.612 -179.756 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.78 -25.05 48.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.389 179.305 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.32 -37.92 31.65 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.809 179.716 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.446 HG22 HD11 ' B' ' 17' ' ' ILE . 0.0 OUTLIER -76.23 -34.74 26.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.88 0.371 . . . . 0.0 110.69 179.831 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -78.5 -27.82 46.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.898 0.38 . . . . 0.0 110.888 179.785 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 15.2 ttt85 -80.24 -34.66 36.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.36 -179.828 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.491 ' CB ' ' HB ' ' A' ' 24' ' ' ILE . 90.9 mt -79.49 -27.07 41.5 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 110.097 -0.335 . . . . 0.0 110.097 -179.974 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . 0.435 ' HB2' HG13 ' A' ' 24' ' ' ILE . 0.6 OUTLIER -74.53 -39.0 62.63 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 178.662 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 19.9 ttpt -61.9 -46.74 88.05 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.107 179.363 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.26 -51.53 69.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.533 179.576 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . 0.491 ' HB ' ' CB ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -64.93 -18.87 24.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.935 179.581 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -71.1 -39.58 72.01 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 178.997 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 19.4 mtp180 -66.06 -48.8 69.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.327 179.278 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . 0.433 ' O ' ' CG2' ' B' ' 31' ' ' ILE . 3.0 m-70 -66.68 -24.0 66.21 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.215 179.24 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.458 ' HA ' ' CG2' ' B' ' 31' ' ' ILE . 0.7 OUTLIER -78.04 -24.86 47.63 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.099 179.933 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -78.55 -37.93 41.65 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.53 179.722 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.34 -42.71 61.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.794 179.622 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . 0.458 ' CG2' ' HA ' ' B' ' 28' ' ' LYS . 4.3 tp . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.839 -179.993 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.435 ' O ' ' CG2' ' A' ' 17' ' ' ILE . 8.9 m-70 . . . . . 0 C--O 1.224 -0.241 0 CA-C-O 120.519 0.2 . . . . 0.0 110.573 . . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.427 ' N ' HD12 ' B' ' 31' ' ' ILE . . . -69.4 -53.36 19.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.837 0.351 . . . . 0.0 110.265 -179.774 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.57 -21.65 66.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.104 178.813 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.526 ' CB ' ' CE1' ' B' ' 27' ' ' HIS . 2.5 mm-40 -74.86 -42.44 57.9 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.082 179.759 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.435 ' CG2' ' O ' ' A' ' 13' ' ' HIS . 0.7 OUTLIER -67.84 -40.83 84.3 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 CA-C-O 120.91 0.386 . . . . 0.0 110.528 -179.994 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.404 ' N ' HD13 ' A' ' 17' ' ' ILE . 2.1 mt-10 -70.62 -26.79 63.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.777 179.582 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.8 mtp85 -75.91 -34.92 59.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.017 -179.96 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.429 ' CB ' ' HB ' ' B' ' 24' ' ' ILE . 3.5 mm? -70.86 -36.38 72.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.865 0.364 . . . . 0.0 110.374 179.722 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.428 ' CG ' HD11 ' B' ' 24' ' ' ILE . 0.0 OUTLIER -67.17 -45.86 75.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.506 179.466 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -32.42 72.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.428 179.619 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -65.64 -48.99 70.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.704 179.879 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.443 ' HB ' ' CB ' ' B' ' 20' ' ' LEU . 5.7 tt -64.05 -23.01 32.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.715 0.293 . . . . 0.0 110.545 179.425 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -68.03 -48.86 64.5 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.38 179.584 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.0 -36.8 84.27 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.572 179.646 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.518 ' CE1' ' CB ' ' B' ' 16' ' ' GLU . 0.2 OUTLIER -73.58 -22.33 60.08 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.337 179.417 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.457 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 0.2 OUTLIER -76.11 -32.45 59.19 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.584 179.765 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.64 -41.43 65.5 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.425 179.595 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.57 -41.99 78.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.246 179.917 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.457 ' CG2' ' HA ' ' A' ' 28' ' ' LYS . 4.2 tp -73.04 -27.55 24.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.089 -179.761 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.429 ' HE3' ' CE ' ' A' ' 28' ' ' LYS . 10.8 mttt -80.19 -22.73 41.58 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.783 179.624 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.7 mmtt . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.444 -179.779 . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.236 0.379 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 . . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -72.59 -33.26 66.6 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.09 179.444 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . 0.433 ' O ' ' CG2' ' B' ' 17' ' ' ILE . 9.0 m-70 -68.12 -30.14 69.22 Favored 'General case' 0 C--O 1.225 -0.212 0 C-N-CA 120.978 -0.289 . . . . 0.0 110.616 179.429 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . 0.42 ' N ' HD12 ' A' ' 31' ' ' ILE . . . -69.98 -53.27 18.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.788 0.328 . . . . 0.0 110.231 -179.866 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.42 -22.1 66.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.162 178.823 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.518 ' CB ' ' CE1' ' A' ' 27' ' ' HIS . 2.4 mm-40 -74.33 -43.06 58.27 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.064 179.793 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.435 ' CG2' HG23 ' A' ' 31' ' ' ILE . 0.7 OUTLIER -67.35 -40.93 85.76 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 CA-C-O 120.817 0.342 . . . . 0.0 110.57 -179.994 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.41 ' N ' HD13 ' B' ' 17' ' ' ILE . 2.0 mt-10 -70.33 -26.64 63.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.785 179.598 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 12.2 mtp85 -76.11 -34.77 59.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.076 -179.986 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.443 ' CB ' ' HB ' ' A' ' 24' ' ' ILE . 3.5 mm? -71.02 -36.07 72.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.883 0.373 . . . . 0.0 110.38 179.776 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . 0.426 ' CG ' HD11 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -67.4 -45.73 75.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.474 179.524 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.07 -32.23 72.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.375 179.594 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -65.49 -49.27 69.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.739 179.802 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . 0.429 ' HB ' ' CB ' ' A' ' 20' ' ' LEU . 5.6 tt -64.09 -23.28 32.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.699 0.285 . . . . 0.0 110.431 179.539 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -67.48 -48.62 66.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.94 0.4 . . . . 0.0 110.408 179.466 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.34 -36.43 82.9 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.551 179.593 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . 0.526 ' CE1' ' CB ' ' A' ' 16' ' ' GLU . 0.2 OUTLIER -74.31 -20.99 59.92 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.317 179.438 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.47 ' HA ' ' CG2' ' B' ' 31' ' ' ILE . 0.2 OUTLIER -77.54 -32.69 54.1 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.491 179.706 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.44 -42.41 65.07 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.3 179.577 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.35 -43.9 80.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.001 179.816 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . 0.47 ' CG2' ' HA ' ' B' ' 28' ' ' LYS . 4.8 tp . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.382 -179.776 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.46 ' HB2' ' CD1' ' B' ' 31' ' ' ILE . 12.8 m-70 . . . . . 0 CA--C 1.519 -0.231 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 . . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.431 ' N ' HD12 ' B' ' 31' ' ' ILE . . . -66.44 -50.34 63.69 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.717 -179.811 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.03 -27.57 68.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.998 0.428 . . . . 0.0 110.297 179.469 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.509 ' CB ' ' CE1' ' B' ' 27' ' ' HIS . 0.1 OUTLIER -70.3 -41.55 73.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.292 -179.886 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.438 ' CG2' HG23 ' B' ' 31' ' ' ILE . 1.0 OUTLIER -67.55 -36.66 76.93 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-O 121.05 0.452 . . . . 0.0 110.671 -179.769 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.424 ' N ' HG13 ' A' ' 17' ' ' ILE . 6.5 mm-40 -69.86 -28.94 66.07 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.563 179.529 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.46 -42.85 67.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.581 -179.688 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.475 ' CB ' ' HB ' ' B' ' 24' ' ' ILE . 3.4 mm? -73.43 -28.5 62.01 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 120.736 0.303 . . . . 0.0 110.55 -179.755 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.437 ' HA ' ' CG2' ' A' ' 24' ' ' ILE . 1.0 OUTLIER -75.16 -27.82 59.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.473 179.338 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.62 -32.16 53.27 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.015 179.446 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.422 ' CB ' ' HG ' ' B' ' 20' ' ' LEU . 3.3 mm-40 -71.69 -46.41 58.88 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.592 179.472 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.484 ' CD1' ' HB ' ' B' ' 17' ' ' ILE . 0.1 OUTLIER -62.9 -36.69 76.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.941 0.401 . . . . 0.0 110.023 179.325 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -62.51 -47.56 83.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.32 179.676 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -64.82 -36.67 85.08 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 120.881 0.372 . . . . 0.0 111.472 -179.521 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.506 ' CE1' ' CB ' ' B' ' 16' ' ' GLU . 0.2 OUTLIER -74.43 -22.57 59.07 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.713 -179.985 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.445 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 7.1 ttmt -76.6 -32.53 58.16 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.434 179.62 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -72.63 -40.41 66.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.58 179.597 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 92.6 p -70.51 -40.83 73.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.276 -179.969 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.463 ' CD1' ' HB2' ' B' ' 13' ' ' HIS . 5.7 tp -74.82 -25.24 18.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.914 -179.966 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.1 ttpt -79.41 -31.76 42.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.654 179.716 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.7 mttt . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.643 179.756 . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 8.5 p . . . . . 0 N--CA 1.455 -0.217 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 . . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.522 ' CD2' ' ND1' ' B' ' 13' ' ' HIS . 0.5 OUTLIER -76.55 -49.89 15.29 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.638 179.213 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . 0.522 ' ND1' ' CD2' ' B' ' 12' ' ' HIS . 12.2 m-70 -64.36 -27.57 69.1 Favored 'General case' 0 C--O 1.223 -0.32 0 C-N-CA 120.631 -0.428 . . . . 0.0 109.966 178.927 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . 0.425 ' N ' HD12 ' A' ' 31' ' ' ILE . . . -65.57 -50.77 63.91 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.952 -179.803 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.98 -27.95 69.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.04 0.448 . . . . 0.0 110.372 179.612 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.506 ' CB ' ' CE1' ' A' ' 27' ' ' HIS . 0.2 OUTLIER -70.38 -40.73 73.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.414 -179.914 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.484 ' HB ' ' CD1' ' A' ' 24' ' ' ILE . 1.0 OUTLIER -68.24 -35.67 72.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.849 0.357 . . . . 0.0 110.883 -179.472 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.435 ' N ' HG13 ' B' ' 17' ' ' ILE . 6.3 mm-40 -71.16 -29.2 64.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.607 179.675 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.52 -42.45 71.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.377 -179.852 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.422 ' HG ' ' CB ' ' A' ' 23' ' ' GLU . 3.2 mm? -71.34 -31.45 67.39 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.818 0.342 . . . . 0.0 110.851 -179.731 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . 0.422 ' CG ' HG12 ' A' ' 24' ' ' ILE . 1.1 tt0 -73.58 -32.39 64.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.584 179.832 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.73 -31.72 63.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.459 179.664 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -71.52 -46.05 60.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.043 -179.982 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . 0.475 ' HB ' ' CB ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -67.73 -30.44 48.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.487 179.818 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -65.02 -43.78 91.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.395 179.513 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -68.17 -36.13 79.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.764 179.781 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . 0.509 ' CE1' ' CB ' ' A' ' 16' ' ' GLU . 0.2 OUTLIER -74.95 -20.57 59.62 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.695 179.693 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.454 ' HA ' ' CG2' ' B' ' 31' ' ' ILE . 6.6 ttmt -78.74 -33.87 46.24 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.906 0.384 . . . . 0.0 110.425 179.625 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -71.5 -40.44 70.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.473 179.49 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 88.2 p -69.71 -43.73 71.78 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.989 179.798 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . 0.46 ' CD1' ' HB2' ' A' ' 13' ' ' HIS . 6.1 tp . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.192 179.988 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.439 ' HB2' ' CD1' ' B' ' 31' ' ' ILE . 10.0 m-70 . . . . . 0 CA--C 1.519 -0.227 0 CA-C-O 120.647 0.261 . . . . 0.0 110.442 . . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.27 -54.4 29.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.105 -179.999 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.16 -21.4 59.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.319 178.959 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.473 ' HB3' ' CE1' ' B' ' 27' ' ' HIS . 0.1 OUTLIER -76.88 -42.82 38.33 Favored 'General case' 0 CA--C 1.527 0.091 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.333 -179.933 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.434 ' CG2' ' HB3' ' B' ' 27' ' ' HIS . 1.1 pp -71.07 -27.78 30.9 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 CA-C-O 120.905 0.383 . . . . 0.0 110.888 -179.83 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.59 -38.98 58.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.363 179.591 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 43.2 ttt-85 -65.57 -45.46 83.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.409 179.532 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.432 ' HB3' ' CG2' ' B' ' 24' ' ' ILE . 0.0 OUTLIER -61.46 -43.62 98.54 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.901 179.295 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.439 ' CG ' ' CD1' ' B' ' 24' ' ' ILE . 19.4 mt-30 -60.57 -31.58 70.71 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.583 179.589 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.09 -45.36 89.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.429 179.738 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -47.59 85.3 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.859 179.739 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.434 HD12 ' CG ' ' B' ' 21' ' ' GLN . 0.5 OUTLIER -58.36 -36.18 57.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 179.762 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -61.49 -40.35 94.27 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.317 179.612 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -56.44 -47.15 79.72 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.762 179.277 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.481 ' CE1' ' HB3' ' B' ' 16' ' ' GLU . 0.2 OUTLIER -66.33 -26.15 67.16 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.629 178.727 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.495 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 6.0 ttmt -72.04 -26.72 62.3 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.894 179.877 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -75.1 -44.27 48.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.433 179.857 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.06 -42.0 90.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.158 179.889 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.495 ' CG2' ' HA ' ' A' ' 28' ' ' LYS . 3.8 tp -71.75 -32.15 44.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.94 -179.87 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.0 mmtp -76.6 -20.47 56.74 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.075 179.892 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.458 -179.632 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.451 -0.39 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 . . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.448 ' CE1' ' OE1' ' B' ' 16' ' ' GLU . 0.2 OUTLIER -73.27 -41.26 63.86 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.67 178.833 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . 0.434 ' HB2' ' CD1' ' A' ' 31' ' ' ILE . 10.0 m-70 -62.21 -32.29 72.93 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.399 179.274 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.27 -54.63 26.37 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.205 179.987 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.9 -21.68 58.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.38 178.938 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.481 ' HB3' ' CE1' ' A' ' 27' ' ' HIS . 0.1 OUTLIER -76.71 -42.81 40.02 Favored 'General case' 0 CA--C 1.527 0.081 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.324 -179.891 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.43 ' CG2' ' HB3' ' A' ' 27' ' ' HIS . 1.1 pp -70.86 -27.9 31.92 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.169 0 CA-C-O 120.937 0.399 . . . . 0.0 110.882 -179.747 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.36 -39.21 59.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.388 179.672 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 42.0 ttt-85 -66.08 -44.01 85.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.493 179.638 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.431 ' HB3' ' CG2' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -64.06 -36.99 85.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.121 179.559 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . 0.434 ' CG ' HD12 ' A' ' 24' ' ' ILE . 17.9 mt-30 -67.38 -29.53 69.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.384 179.278 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.74 -46.24 79.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.416 179.63 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.63 -46.91 87.57 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.745 179.71 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . 0.439 ' CD1' ' CG ' ' A' ' 21' ' ' GLN . 0.5 OUTLIER -58.5 -37.5 64.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 179.595 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -60.8 -40.17 91.67 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.358 179.609 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -56.47 -47.32 79.45 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 121.175 0.512 . . . . 0.0 109.759 179.324 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . 0.473 ' CE1' ' HB3' ' A' ' 16' ' ' GLU . 0.2 OUTLIER -66.26 -26.02 67.15 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.62 178.783 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.489 ' HA ' ' CG2' ' B' ' 31' ' ' ILE . 6.1 ttmt -72.31 -26.62 62.02 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.887 179.844 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -75.06 -44.3 48.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.498 179.761 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.89 -42.25 90.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.087 179.863 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . 0.489 ' CG2' ' HA ' ' B' ' 28' ' ' LYS . 3.8 tp . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.037 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.827 0.346 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.459 ' O ' ' CE1' ' A' ' 5' ' ' HIS . 0.6 OUTLIER -116.27 -52.79 2.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -123.61 25.56 8.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.31 -25.6 25.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.459 ' CE1' ' O ' ' A' ' 2' ' ' LEU . 1.8 p-80 -62.96 -28.4 70.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.979 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.51 -38.14 83.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -64.62 -25.8 68.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.621 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -72.37 -55.76 6.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.532 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.475 ' O ' ' CD2' ' A' ' 13' ' ' HIS . 1.0 OUTLIER -62.55 -23.83 67.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.571 179.467 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.424 HD13 ' CD2' ' B' ' 34' ' ' LEU . 0.0 OUTLIER -73.25 -45.37 53.36 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.403 179.891 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.423 ' N ' HG21 ' A' ' 10' ' ' ILE . 9.7 p -63.68 -31.53 72.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.886 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.573 ' CD2' ' CE1' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -71.83 -44.01 64.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.327 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.573 ' CE1' ' CD2' ' A' ' 12' ' ' HIS . 8.3 m-70 -62.95 -27.23 69.25 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.786 0.327 . . . . 0.0 110.207 179.364 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.454 ' N ' HD12 ' B' ' 31' ' ' ILE . . . -68.49 -54.94 13.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.491 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.416 ' O ' ' CB ' ' A' ' 19' ' ' ARG . 7.1 mttm -67.04 -14.01 62.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.73 179.273 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.413 ' O ' ' CG ' ' A' ' 20' ' ' LEU . 1.3 mm-40 -84.49 -36.83 21.98 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.212 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.404 HG13 ' CB ' ' B' ' 28' ' ' LYS . 0.0 OUTLIER -78.18 -31.7 16.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.945 0.402 . . . . 0.0 110.463 179.654 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.404 ' N ' HG21 ' A' ' 17' ' ' ILE . 1.7 mt-10 -80.62 -39.29 27.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.358 179.268 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.416 ' CB ' ' O ' ' A' ' 15' ' ' LYS . 15.2 ttp180 -74.33 -28.17 61.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.308 179.572 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.477 ' CD1' ' CD2' ' B' ' 27' ' ' HIS . 13.6 mt -73.81 -40.73 63.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.099 179.515 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -62.74 -42.69 99.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.598 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.4 ttpt -64.43 -38.02 89.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.698 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -64.55 -38.56 91.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.209 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.433 ' CG2' ' HB3' ' B' ' 20' ' ' LEU . 0.5 OUTLIER -64.41 -40.46 89.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.928 0.394 . . . . 0.0 110.264 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.423 ' N ' HG13 ' A' ' 24' ' ' ILE . 1.0 OUTLIER -58.8 -44.55 90.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.463 179.743 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.48 -49.29 72.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.268 179.552 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.481 ' CD2' ' CD1' ' B' ' 20' ' ' LEU . 4.7 m-70 -64.53 -24.73 67.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.576 179.503 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.444 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 4.1 ttpt -77.13 -26.0 52.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.785 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -78.74 -35.3 44.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.746 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 13.1 p -74.52 -36.05 63.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.862 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.446 HD12 ' N ' ' B' ' 14' ' ' ALA . 4.7 tp -77.31 -28.99 16.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.69 -31.62 41.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.76 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.72 -34.1 40.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.689 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.425 ' CD2' HD13 ' B' ' 10' ' ' ILE . 0.3 OUTLIER -78.12 -28.69 48.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.686 179.879 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.3 ttmt -79.46 -33.96 41.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.756 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -77.04 -31.18 56.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.785 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -75.7 -26.04 57.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.786 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -74.06 -26.35 60.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.772 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -70.74 -26.58 63.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -102.4 161.33 13.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.4 p30 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.255 -0.878 . . . . 0.0 110.911 179.985 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.818 0.342 . . . . 0.0 111.059 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . 0.467 ' O ' ' CE1' ' B' ' 5' ' ' HIS . 0.5 OUTLIER -116.28 -52.78 2.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.931 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -123.63 25.38 8.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.1 -25.73 25.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . 0.467 ' CE1' ' O ' ' B' ' 2' ' ' LEU . 1.8 p-80 -62.83 -28.34 69.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.49 -38.21 83.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.937 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -64.67 -25.61 68.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.663 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -72.56 -55.7 6.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.515 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.472 ' O ' ' CD2' ' B' ' 13' ' ' HIS . 1.0 OUTLIER -62.61 -23.91 67.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.508 179.471 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.425 HD13 ' CD2' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -73.48 -45.07 52.89 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.367 179.902 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 9.7 p -63.67 -31.65 72.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.806 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.578 ' CD2' ' CE1' ' B' ' 13' ' ' HIS . 0.0 OUTLIER -71.77 -44.11 64.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.37 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . 0.578 ' CE1' ' CD2' ' B' ' 12' ' ' HIS . 8.3 m-70 -62.84 -27.27 69.21 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.839 0.352 . . . . 0.0 110.275 179.388 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . 0.446 ' N ' HD12 ' A' ' 31' ' ' ILE . . . -68.47 -54.91 13.85 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.478 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . 0.419 ' O ' ' CB ' ' B' ' 19' ' ' ARG . 7.2 mttm -67.09 -13.91 62.39 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.747 179.214 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.416 ' O ' ' CG ' ' B' ' 20' ' ' LEU . 1.3 mm-40 -84.68 -36.52 21.84 Favored 'General case' 0 N--CA 1.457 -0.076 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.244 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.4 HG13 ' CB ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -78.47 -31.59 15.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.882 0.373 . . . . 0.0 110.428 179.615 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -80.92 -39.19 26.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.389 179.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . 0.419 ' CB ' ' O ' ' B' ' 15' ' ' LYS . 15.1 ttp180 -74.22 -28.72 61.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.343 179.478 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.481 ' CD1' ' CD2' ' A' ' 27' ' ' HIS . 13.4 mt -73.0 -41.54 64.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.1 179.374 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -61.86 -42.88 99.59 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.667 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 7.4 ttpt -64.34 -37.69 88.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.736 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -64.96 -38.1 89.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.179 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . 0.43 ' CG2' ' HB3' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -64.78 -40.37 88.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.043 0.449 . . . . 0.0 110.249 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . 0.427 ' N ' HG13 ' B' ' 24' ' ' ILE . 1.0 OUTLIER -59.02 -44.41 91.71 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.48 179.701 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.52 -49.28 73.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.274 179.555 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . 0.477 ' CD2' ' CD1' ' A' ' 20' ' ' LEU . 4.7 m-70 -64.56 -24.73 67.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.584 179.49 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.44 ' HA ' ' CG2' ' B' ' 31' ' ' ILE . 4.0 ttpt -77.07 -26.0 52.97 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.832 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -78.76 -35.24 44.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.778 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 13.0 p -74.52 -36.02 63.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . 0.454 HD12 ' N ' ' A' ' 14' ' ' ALA . 4.6 tp -77.22 -29.06 16.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.6 -31.58 41.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.803 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.75 -34.16 40.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.719 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.424 ' CD2' HD13 ' A' ' 10' ' ' ILE . 0.3 OUTLIER -78.09 -28.62 48.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.732 179.812 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 4.3 ttmt -79.61 -33.81 41.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.797 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -77.13 -31.12 55.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.827 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -75.78 -25.98 56.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.784 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -74.16 -26.2 60.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.812 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -70.87 -26.45 63.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -102.5 161.26 13.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 9.4 p30 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.234 -0.888 . . . . 0.0 110.938 179.977 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.86 0.362 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -136.1 -65.26 0.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.942 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.49 57.68 5.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.875 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.07 -33.39 65.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.869 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -59.21 -29.47 67.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.7 -37.35 81.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.92 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -64.66 -26.01 68.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.688 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -72.76 -56.25 5.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.415 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.48 ' HG3' ' CE1' ' A' ' 13' ' ' HIS . 0.4 OUTLIER -61.01 -24.16 65.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.435 179.308 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.432 ' CD1' ' HB3' ' B' ' 34' ' ' LEU . 0.0 OUTLIER -71.83 -48.85 48.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.414 179.84 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.43 ' N ' HG21 ' A' ' 10' ' ' ILE . 1.4 t -63.93 -26.44 68.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.706 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.568 ' CD2' ' CE1' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -71.49 -44.16 65.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.247 179.847 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.568 ' CE1' ' CD2' ' A' ' 12' ' ' HIS . 17.3 m-70 -63.97 -30.15 71.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.876 0.369 . . . . 0.0 110.133 179.425 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.445 ' N ' HG13 ' B' ' 31' ' ' ILE . . . -64.66 -51.83 60.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.474 179.712 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.0 mttm -64.66 -21.25 66.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.503 179.23 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.474 ' HB3' ' CE1' ' B' ' 27' ' ' HIS . 9.5 mm-40 -77.35 -35.95 54.19 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.147 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.436 HG13 ' N ' ' A' ' 18' ' ' GLU . 1.0 OUTLIER -72.59 -35.39 50.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.826 0.346 . . . . 0.0 110.941 -179.929 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.436 ' N ' HG13 ' A' ' 17' ' ' ILE . 58.6 mt-10 -75.27 -38.94 60.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.552 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.71 -34.26 75.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.552 179.732 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.467 ' CD2' ' CD2' ' B' ' 20' ' ' LEU . 0.5 OUTLIER -66.61 -44.86 80.93 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.035 179.475 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -56.58 -44.79 81.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.815 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -61.57 -35.61 78.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.725 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -65.93 -39.26 90.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.155 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.435 ' CG2' ' HB3' ' B' ' 20' ' ' LEU . 0.5 OUTLIER -62.9 -40.91 90.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.989 0.423 . . . . 0.0 110.147 179.885 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.425 ' N ' HG13 ' A' ' 24' ' ' ILE . 0.2 OUTLIER -60.37 -41.56 93.97 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.387 179.561 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.1 mmt180 -56.03 -44.97 79.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.014 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.461 ' CE1' ' HB3' ' B' ' 16' ' ' GLU . 0.2 OUTLIER -65.69 -28.16 68.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.087 179.37 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.42 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 1.9 ttpt -74.78 -23.45 58.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.852 179.642 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.41 ' HA ' ' CG ' ' A' ' 32' ' ' LYS . 36.7 tt0 -80.81 -34.41 34.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.757 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.86 -36.4 56.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.576 179.698 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.442 HG13 ' N ' ' B' ' 14' ' ' ALA . 0.0 OUTLIER -77.8 -33.85 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.862 179.681 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.41 ' CG ' ' HA ' ' A' ' 29' ' ' GLN . 0.0 OUTLIER -77.19 -29.77 54.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.456 179.543 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.08 -37.01 64.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.348 179.51 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.431 ' CD2' HD13 ' B' ' 10' ' ' ILE . 1.1 mt -67.18 -43.14 82.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.404 179.568 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.1 mmtp -61.21 -42.38 98.49 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.537 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -65.22 -34.3 78.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.042 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.56 -27.23 65.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -69.62 -31.05 68.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.6 -25.61 64.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.915 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -83.39 -170.72 3.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.924 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.829 0.347 . . . . 0.0 111.062 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -136.16 -65.19 0.58 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.96 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.38 57.72 5.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.948 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.05 -33.34 65.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.91 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -59.28 -29.45 67.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.78 -37.19 81.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.825 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -64.79 -26.04 68.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.599 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -72.81 -56.24 5.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.413 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.479 ' HG3' ' CE1' ' B' ' 13' ' ' HIS . 0.4 OUTLIER -60.89 -24.21 65.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.396 179.24 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.431 HD13 ' CD2' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -71.57 -49.34 47.22 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.328 179.869 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' SER . . . . . 0.425 ' N ' HG21 ' B' ' 10' ' ' ILE . 1.4 t -63.74 -26.43 68.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.762 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.576 ' CD2' ' CE1' ' B' ' 13' ' ' HIS . 0.0 OUTLIER -71.56 -44.19 64.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.243 179.859 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . 0.576 ' CE1' ' CD2' ' B' ' 12' ' ' HIS . 17.1 m-70 -64.03 -30.06 71.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.833 0.349 . . . . 0.0 110.1 179.478 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . 0.442 ' N ' HG13 ' A' ' 31' ' ' ILE . . . -65.01 -51.8 59.65 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.441 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 4.9 mttm -64.33 -21.65 66.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.449 179.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.461 ' HB3' ' CE1' ' A' ' 27' ' ' HIS . 9.5 mm-40 -76.71 -37.06 56.73 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.142 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.431 HG13 ' N ' ' B' ' 18' ' ' GLU . 1.0 OUTLIER -71.5 -35.56 57.11 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 CA-C-O 120.901 0.381 . . . . 0.0 111.045 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.431 ' N ' HG13 ' B' ' 17' ' ' ILE . 63.2 mt-10 -74.34 -39.24 62.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.69 179.633 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.23 -32.32 71.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.614 179.772 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.467 ' CD2' ' CD2' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -69.79 -39.5 76.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.344 179.596 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -61.85 -43.53 98.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.541 179.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -63.11 -36.19 82.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.683 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -65.36 -39.36 92.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.15 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . 0.426 HG13 ' N ' ' B' ' 25' ' ' GLU . 0.5 OUTLIER -62.65 -41.24 91.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.027 0.441 . . . . 0.0 110.015 179.91 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . 0.426 ' N ' HG13 ' B' ' 24' ' ' ILE . 0.2 OUTLIER -60.33 -41.33 93.31 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.351 179.589 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -56.05 -45.18 79.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.08 179.467 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . 0.474 ' CE1' ' HB3' ' A' ' 16' ' ' GLU . 0.2 OUTLIER -65.31 -28.0 69.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.157 179.274 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.417 ' O ' ' CG ' ' B' ' 32' ' ' LYS . 2.0 ttpt -74.86 -23.86 58.48 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.79 179.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . 0.421 ' HA ' ' CG ' ' B' ' 32' ' ' LYS . 36.7 tt0 -80.51 -34.14 35.87 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.751 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 3.8 m -76.99 -36.46 56.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.61 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . 0.445 HG13 ' N ' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -78.07 -33.18 17.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.818 179.725 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . 0.421 ' CG ' ' HA ' ' B' ' 29' ' ' GLN . 0.0 OUTLIER -77.65 -29.95 51.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.357 179.54 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -73.57 -37.83 65.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.406 179.544 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.432 ' HB3' ' CD1' ' A' ' 10' ' ' ILE . 1.1 mt -67.96 -42.23 81.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.429 179.646 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.31 -37.65 88.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.673 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -70.39 -32.84 70.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.844 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.47 -27.22 65.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.802 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -68.49 -30.74 69.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.842 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.73 -25.63 63.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -83.19 -170.87 3.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.894 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 120.818 0.342 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.6 mt -55.6 142.15 34.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.862 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.475 ' HE2' ' CE1' ' A' ' 5' ' ' HIS . 0.0 OUTLIER -95.92 27.24 3.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 179.93 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.14 -31.67 72.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.475 ' CE1' ' HE2' ' A' ' 3' ' ' LYS . 2.9 p-80 -59.63 -32.14 70.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.43 ' N ' ' CD2' ' A' ' 5' ' ' HIS . 0.1 OUTLIER -64.84 -56.76 11.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.07 -25.2 4.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.745 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -70.84 -59.12 2.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.327 179.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.469 ' O ' ' CD2' ' A' ' 13' ' ' HIS . 3.3 mm-40 -56.87 -21.2 27.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.336 179.206 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.428 HG21 ' N ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -71.23 -51.83 31.45 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.63 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.428 ' N ' HG21 ' A' ' 10' ' ' ILE . 3.2 t -63.35 -27.11 69.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.026 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.576 ' CD2' ' CE1' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -74.97 -43.28 54.88 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.462 -179.931 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.576 ' CE1' ' CD2' ' A' ' 12' ' ' HIS . 10.8 m-70 -65.29 -25.76 67.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.7 0.286 . . . . 0.0 110.241 179.455 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.447 ' N ' HD12 ' B' ' 31' ' ' ILE . . . -70.96 -54.1 12.52 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.351 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.409 ' O ' ' CB ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -69.01 -15.51 63.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.669 179.141 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.416 ' O ' ' CG ' ' A' ' 20' ' ' LEU . 6.6 mm-40 -84.26 -34.54 23.79 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.973 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.426 HG13 ' CB ' ' B' ' 28' ' ' LYS . 0.0 OUTLIER -77.09 -35.54 23.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.901 0.381 . . . . 0.0 110.451 179.668 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.8 -38.95 37.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.362 179.308 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.409 ' CB ' ' O ' ' A' ' 15' ' ' LYS . 3.7 ttt180 -74.0 -26.99 60.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.423 179.588 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.426 ' HB3' ' CG2' ' B' ' 24' ' ' ILE . 10.2 mt -73.2 -42.12 63.04 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.103 179.379 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -61.38 -44.6 96.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.653 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.07 -35.74 81.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.711 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.405 ' OE2' ' CZ ' ' A' ' 19' ' ' ARG . 3.4 mt-10 -66.45 -36.32 82.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.158 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.427 ' CG2' ' HB3' ' B' ' 20' ' ' LEU . 0.5 OUTLIER -65.89 -41.53 90.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.99 0.424 . . . . 0.0 110.159 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.418 ' N ' HG13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -58.74 -44.18 90.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.441 179.701 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.76 -49.32 73.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.268 179.601 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -62.99 -25.34 68.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.561 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.441 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 0.0 OUTLIER -75.12 -30.38 60.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.902 179.923 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -75.03 -34.66 61.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.746 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.59 -40.64 61.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.453 HD12 ' N ' ' B' ' 14' ' ' ALA . 4.0 tp -74.22 -26.08 20.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.87 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt -79.07 -36.39 40.91 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.745 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.58 -27.63 45.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.736 179.768 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.425 ' CD2' HD13 ' B' ' 10' ' ' ILE . 0.8 OUTLIER -79.85 -31.33 40.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.699 179.81 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -77.39 -35.59 54.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.792 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -77.92 -29.95 50.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.712 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.8 t -77.78 -26.86 50.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.734 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.25 -28.24 61.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.87 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.27 -25.21 61.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.924 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -85.55 -36.97 20.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.8 t0 . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.278 -0.868 . . . . 0.0 110.881 -179.975 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.866 0.365 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 3.6 mt -55.74 142.14 35.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . 0.475 ' HE2' ' CE1' ' B' ' 5' ' ' HIS . 0.0 OUTLIER -95.9 27.24 3.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.05 -31.73 72.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . 0.475 ' CE1' ' HE2' ' B' ' 3' ' ' LYS . 2.9 p-80 -59.56 -32.22 70.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . 0.427 ' N ' ' CD2' ' B' ' 5' ' ' HIS . 0.1 OUTLIER -64.86 -56.68 11.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.903 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.16 -25.12 4.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.762 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -70.95 -58.98 3.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.379 179.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.474 ' O ' ' CD2' ' B' ' 13' ' ' HIS . 3.3 mm-40 -56.9 -21.22 28.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.361 179.129 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.425 HD13 ' CD2' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -71.22 -51.84 31.43 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.636 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' SER . . . . . 0.416 ' N ' HG21 ' B' ' 10' ' ' ILE . 3.2 t -63.31 -27.1 69.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.059 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.577 ' CD2' ' CE1' ' B' ' 13' ' ' HIS . 0.0 OUTLIER -75.0 -43.33 54.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.426 -179.897 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . 0.577 ' CE1' ' CD2' ' B' ' 12' ' ' HIS . 10.8 m-70 -65.3 -25.72 67.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.755 0.312 . . . . 0.0 110.318 179.42 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . 0.453 ' N ' HD12 ' A' ' 31' ' ' ILE . . . -70.97 -54.05 12.69 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.441 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . 0.411 ' O ' ' CB ' ' B' ' 19' ' ' ARG . 0.0 OUTLIER -69.03 -15.62 63.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.635 179.1 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.422 ' O ' ' CG ' ' B' ' 20' ' ' LEU . 6.6 mm-40 -84.18 -34.56 23.95 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.994 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.421 HG13 ' CB ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -77.03 -35.54 23.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.884 0.373 . . . . 0.0 110.477 179.626 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.94 -38.84 36.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.312 179.401 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . 0.412 ' CZ ' ' OE2' ' B' ' 23' ' ' GLU . 3.7 ttt180 -73.94 -27.04 60.82 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.444 179.531 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.427 ' HB3' ' CG2' ' A' ' 24' ' ' ILE . 10.2 mt -73.17 -42.21 63.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.058 179.426 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -61.29 -44.73 96.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.653 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.91 -35.75 81.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.77 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . 0.412 ' OE2' ' CZ ' ' B' ' 19' ' ' ARG . 3.4 mt-10 -66.5 -36.31 82.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.142 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . 0.426 ' CG2' ' HB3' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -65.86 -41.56 90.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.99 0.424 . . . . 0.0 110.159 179.919 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . 0.421 ' N ' HG13 ' B' ' 24' ' ' ILE . 0.0 OUTLIER -58.75 -44.07 90.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.54 179.727 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.8 -49.39 73.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.261 179.546 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -62.89 -25.33 68.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.644 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.443 ' HA ' ' CG2' ' B' ' 31' ' ' ILE . 0.0 OUTLIER -75.17 -30.31 60.66 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.886 179.906 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -75.12 -34.6 61.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.734 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.59 -40.54 61.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.933 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . 0.447 HD12 ' N ' ' A' ' 14' ' ' ALA . 4.0 tp -74.37 -26.09 20.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.806 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 2.1 ttmt -79.04 -36.26 41.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.775 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.78 -27.47 44.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.704 179.798 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.419 ' CD2' HD13 ' A' ' 10' ' ' ILE . 0.8 OUTLIER -79.97 -31.31 39.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.687 179.79 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -77.36 -35.68 54.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.827 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -77.82 -29.97 50.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.746 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 4.8 t -77.74 -26.86 50.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.761 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.33 -28.15 61.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.825 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.38 -25.26 61.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.865 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -85.5 -36.89 20.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 3.8 t0 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.297 -0.859 . . . . 0.0 110.874 -179.966 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.84 0.352 . . . . 0.0 111.082 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.29 -29.06 14.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.813 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 50.75 25.11 1.96 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.982 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.0 tttp -75.54 -42.45 52.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.812 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -58.58 -24.83 61.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.812 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.37 -38.36 90.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.828 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -64.85 -25.94 68.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.613 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -72.57 -55.5 6.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.529 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.468 ' O ' ' CD2' ' A' ' 13' ' ' HIS . 0.1 OUTLIER -62.35 -24.31 67.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.481 179.368 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.433 HG21 ' N ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -72.3 -46.32 57.62 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.317 179.853 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.433 ' N ' HG21 ' A' ' 10' ' ' ILE . 2.7 m -66.76 -25.15 66.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.76 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.569 ' CD2' ' CE1' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -77.79 -40.63 40.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.383 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.569 ' CE1' ' CD2' ' A' ' 12' ' ' HIS . 7.8 m-70 -66.58 -27.75 67.97 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 110.167 -0.309 . . . . 0.0 110.167 179.285 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.451 ' N ' HD12 ' B' ' 31' ' ' ILE . . . -70.48 -56.23 7.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.411 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.04 -13.1 62.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.494 178.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.471 ' HG2' ' CE1' ' B' ' 27' ' ' HIS . 7.1 tp10 -86.05 -32.13 21.58 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.775 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.437 HG13 ' CB ' ' B' ' 28' ' ' LYS . 0.0 OUTLIER -77.22 -37.81 26.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 120.842 0.353 . . . . 0.0 110.415 179.523 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.407 ' N ' HG21 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -76.36 -37.86 56.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.444 179.285 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.24 -29.71 62.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.648 179.732 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.439 ' HB3' ' CG2' ' B' ' 24' ' ' ILE . 1.9 mm? -71.9 -39.1 69.77 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.016 179.52 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -62.03 -47.45 84.68 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.538 179.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.82 -33.48 75.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.64 179.724 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -67.23 -36.39 81.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.011 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.44 ' CG2' ' HB3' ' B' ' 20' ' ' LEU . 0.5 OUTLIER -65.82 -41.13 89.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.007 0.432 . . . . 0.0 110.079 179.872 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.421 ' N ' HG13 ' A' ' 24' ' ' ILE . 1.1 tp10 -59.28 -43.11 92.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.465 179.598 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.6 ttm180 -55.84 -50.74 69.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.125 179.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.483 ' CE1' ' HG2' ' B' ' 16' ' ' GLU . 4.0 m-70 -62.32 -24.87 67.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.387 179.308 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.433 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 2.2 ttpp -74.25 -29.93 61.91 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.648 179.633 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -76.06 -31.8 58.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.796 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.7 m -77.0 -39.09 51.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.436 ' HB ' ' CB ' ' B' ' 13' ' ' HIS . 3.1 tp -75.71 -28.93 19.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.711 179.77 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.87 -34.32 39.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.868 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.9 tttt -78.86 -29.78 44.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.665 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.424 ' HB3' ' CG1' ' B' ' 10' ' ' ILE . 1.9 mt -78.29 -32.61 49.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.602 179.714 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.7 ttmm -74.65 -37.1 62.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.566 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 22.0 tp60 -72.99 -33.8 66.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.61 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 38.9 m -69.36 -29.77 67.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.663 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.39 -26.96 67.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.723 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -66.56 -25.08 66.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 71.22 152.24 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.904 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.922 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.822 0.344 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.26 -29.14 14.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 50.87 24.98 1.97 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.92 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 11.9 tttp -75.55 -42.27 52.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.874 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -58.63 -25.08 62.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.822 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.24 -38.26 90.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -65.03 -25.39 67.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.652 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -73.13 -55.48 6.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.525 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.466 ' O ' ' CD2' ' B' ' 13' ' ' HIS . 0.1 OUTLIER -62.22 -24.32 67.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.43 179.325 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.428 ' O ' ' CD1' ' A' ' 31' ' ' ILE . 0.0 OUTLIER -72.04 -47.8 53.01 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.22 179.806 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 2.7 m -65.59 -24.75 67.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.827 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.569 ' CD2' ' CE1' ' B' ' 13' ' ' HIS . 0.0 OUTLIER -78.2 -40.55 37.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.487 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . 0.569 ' CE1' ' CD2' ' B' ' 12' ' ' HIS . 7.8 m-70 -67.04 -27.51 67.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.851 0.357 . . . . 0.0 110.18 179.332 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . 0.436 ' N ' HD11 ' A' ' 31' ' ' ILE . . . -70.85 -55.55 8.24 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.333 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.5 -13.36 62.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.468 178.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.483 ' HG2' ' CE1' ' A' ' 27' ' ' HIS . 7.1 tp10 -85.81 -31.91 22.06 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.789 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.432 HG13 ' CB ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -77.05 -38.01 27.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.843 0.354 . . . . 0.0 110.365 179.555 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.419 ' N ' HG21 ' B' ' 17' ' ' ILE . 0.0 OUTLIER -76.34 -37.83 56.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.34 179.448 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.19 -29.69 63.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.691 179.686 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.44 ' HB3' ' CG2' ' A' ' 24' ' ' ILE . 1.9 mm? -71.88 -39.11 69.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.308 -0.406 . . . . 0.0 109.999 179.499 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -62.14 -47.42 84.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.487 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.0 -33.26 75.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.625 179.728 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -67.42 -36.35 81.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.969 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . 0.439 ' CG2' ' HB3' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -65.8 -41.16 89.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.026 0.441 . . . . 0.0 110.045 179.847 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . 0.423 ' N ' HG13 ' B' ' 24' ' ' ILE . 1.1 tp10 -59.32 -43.05 92.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.462 179.584 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 8.5 ttm180 -55.75 -50.59 69.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.176 179.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . 0.471 ' CE1' ' HG2' ' A' ' 16' ' ' GLU . 3.9 m-70 -62.6 -24.83 67.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.357 179.311 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.437 ' CB ' HG13 ' A' ' 17' ' ' ILE . 2.1 ttpp -74.36 -29.65 61.66 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.655 179.626 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -76.28 -32.27 58.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.82 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 4.6 m -76.62 -38.79 54.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . 0.451 HD12 ' N ' ' A' ' 14' ' ' ALA . 3.6 tp -75.84 -29.27 19.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.772 179.784 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.57 -33.82 41.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.821 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 24.8 tttt -79.19 -29.86 43.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.593 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.428 ' CD2' HD13 ' A' ' 10' ' ' ILE . 2.0 mt -78.24 -32.14 49.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.609 179.742 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 2.4 ttmm -75.1 -37.46 61.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.656 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 22.1 tp60 -72.78 -33.8 66.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.655 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 39.1 m -69.38 -29.7 67.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.701 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.42 -27.04 67.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.662 179.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -66.41 -25.23 66.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 71.25 152.13 0.11 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.909 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.91 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.418 ' CB ' ' HG2' ' A' ' 4' ' ' LYS . . . . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 120.779 0.323 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.472 ' O ' ' CE1' ' A' ' 5' ' ' HIS . 0.1 OUTLIER -120.95 -41.24 2.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.942 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.78 26.83 9.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.418 ' HG2' ' CB ' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -89.65 -35.81 15.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.956 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.472 ' CE1' ' O ' ' A' ' 2' ' ' LEU . 1.9 p-80 -58.98 -25.55 63.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.824 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -61.63 -39.01 89.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.855 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.17 -26.38 68.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.668 179.745 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -72.42 -56.7 5.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.406 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.46 ' O ' ' CD2' ' A' ' 13' ' ' HIS . 0.1 OUTLIER -62.16 -21.28 64.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.524 179.335 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.427 ' CD1' HD21 ' B' ' 34' ' ' LEU . 0.0 OUTLIER -75.51 -46.18 37.87 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.415 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.08 -25.38 65.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.72 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.573 ' CD2' ' CE1' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -75.87 -45.76 33.87 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.256 179.934 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.573 ' CE1' ' CD2' ' A' ' 12' ' ' HIS . 9.9 m-70 -62.52 -31.22 71.95 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.866 0.365 . . . . 0.0 110.142 179.341 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.434 ' N ' HD11 ' B' ' 31' ' ' ILE . . . -65.17 -54.78 24.44 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.421 179.768 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.403 ' O ' ' CG ' ' A' ' 19' ' ' ARG . 9.0 mtmt -66.7 -16.42 64.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.677 179.166 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.4 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 1.6 mm-40 -81.87 -33.36 30.6 Favored 'General case' 0 N--CA 1.456 -0.125 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.272 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.434 ' CD1' ' HB2' ' B' ' 28' ' ' LYS . 2.7 tt -79.18 -33.69 15.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 120.893 0.378 . . . . 0.0 110.517 179.75 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -78.75 -36.46 43.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.469 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.403 ' CG ' ' O ' ' A' ' 15' ' ' LYS . 1.4 mmm-85 -74.97 -33.61 61.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.737 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.444 ' HB3' ' CG2' ' B' ' 24' ' ' ILE . 2.1 mm? -72.37 -35.67 68.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.148 179.497 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -64.35 -45.3 88.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.519 179.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.09 -36.91 85.16 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.645 179.708 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.6 tp10 -63.94 -40.98 97.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.03 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.439 ' CG2' ' HB3' ' B' ' 20' ' ' LEU . 0.6 OUTLIER -62.61 -38.67 82.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 121.027 0.442 . . . . 0.0 110.129 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.422 ' N ' HG13 ' A' ' 24' ' ' ILE . 2.1 tp10 -59.12 -44.69 92.03 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.493 179.705 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.7 ttt180 -55.35 -49.5 72.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.126 179.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -63.24 -25.99 68.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.372 179.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.439 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 20.6 ttmm -75.47 -26.37 58.16 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.783 179.718 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -77.39 -34.72 54.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.692 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.1 m -75.42 -40.39 57.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.754 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.442 ' HB ' ' CB ' ' B' ' 13' ' ' HIS . 3.5 tp -76.87 -27.38 16.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -82.49 -28.57 31.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.769 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.6 tttt -81.95 -33.21 30.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.645 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.423 HD21 ' CD1' ' B' ' 10' ' ' ILE . 0.1 OUTLIER -79.8 -30.94 40.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.59 179.791 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.48 -31.13 37.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.824 179.771 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -80.57 -28.92 37.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.783 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.3 t -79.92 -27.88 39.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.79 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.8 -26.32 49.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.83 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -78.55 -25.46 45.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 62.08 64.87 0.94 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.888 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 . . . . . 0 C--O 1.248 0.984 0 CA-C-O 118.282 -0.866 . . . . 0.0 110.85 179.941 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . 0.414 ' CB ' ' HG2' ' B' ' 4' ' ' LYS . . . . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.774 0.321 . . . . 0.0 111.034 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . 0.467 ' O ' ' CE1' ' B' ' 5' ' ' HIS . 0.1 OUTLIER -120.81 -41.24 2.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.73 27.0 9.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.869 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . 0.414 ' HG2' ' CB ' ' B' ' 1' ' ' ALA . 0.0 OUTLIER -89.88 -35.79 15.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.794 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . 0.467 ' CE1' ' O ' ' B' ' 2' ' ' LEU . 1.9 p-80 -59.05 -25.72 63.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.809 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -61.52 -38.7 88.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.811 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.5 -26.4 68.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.598 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -72.28 -56.45 5.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.478 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.47 ' O ' ' CD2' ' B' ' 13' ' ' HIS . 0.1 OUTLIER -62.18 -21.84 65.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.572 179.365 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.423 ' CD1' HD21 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -74.96 -46.04 41.32 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.407 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' SER . . . . . 0.404 ' N ' HG21 ' B' ' 10' ' ' ILE . 6.2 t -68.0 -26.22 65.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.722 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.564 ' CD2' ' CE1' ' B' ' 13' ' ' HIS . 0.0 OUTLIER -75.27 -45.56 39.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.292 179.912 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . 0.564 ' CE1' ' CD2' ' B' ' 12' ' ' HIS . 10.0 m-70 -62.53 -30.53 71.36 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 179.352 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . 0.437 ' CB ' HD12 ' A' ' 31' ' ' ILE . . . -65.63 -55.62 16.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.357 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . 0.421 ' O ' ' CG ' ' B' ' 19' ' ' ARG . 9.4 mtmt -66.38 -15.94 63.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.616 179.171 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -82.21 -33.88 29.17 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.218 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.424 HD13 ' CE ' ' A' ' 28' ' ' LYS . 2.7 tt -79.16 -33.39 15.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.838 0.352 . . . . 0.0 110.501 179.627 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -78.84 -36.44 42.42 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.546 179.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . 0.421 ' CG ' ' O ' ' B' ' 15' ' ' LYS . 1.6 mmm-85 -75.0 -33.51 61.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.675 179.727 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.439 ' HB3' ' CG2' ' A' ' 24' ' ' ILE . 2.2 mm? -72.35 -35.74 68.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.054 179.619 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -64.29 -45.51 87.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.529 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.88 -37.04 85.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.604 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 -63.82 -41.04 97.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.986 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . 0.444 ' CG2' ' HB3' ' A' ' 20' ' ' LEU . 0.6 OUTLIER -62.46 -38.7 82.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.029 0.442 . . . . 0.0 110.158 179.864 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . 0.421 ' N ' HG13 ' B' ' 24' ' ' ILE . 2.1 tp10 -59.04 -44.92 91.83 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.515 179.718 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 18.5 ttt180 -55.16 -49.56 71.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.187 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -63.13 -26.14 68.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.414 179.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.436 ' HA ' ' CG2' ' B' ' 31' ' ' ILE . 20.7 ttmm -75.34 -26.43 58.57 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.712 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -77.39 -34.25 54.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.668 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 3.1 m -75.79 -40.47 55.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.82 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . 0.439 ' HB ' ' CB ' ' A' ' 13' ' ' HIS . 3.0 tp -77.05 -27.24 16.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.797 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -82.67 -28.86 30.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.839 179.694 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 14.6 tttt -81.7 -33.33 31.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.675 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.427 HD21 ' CD1' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -79.58 -31.42 41.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.557 179.714 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.78 -31.27 40.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.737 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -80.36 -29.08 37.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.734 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 2.2 t -79.76 -28.12 40.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.84 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.67 -26.06 50.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -78.6 -25.69 45.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.906 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 62.17 64.71 0.95 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.906 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 . . . . . 0 C--O 1.248 0.98 0 CA-C-O 118.274 -0.869 . . . . 0.0 110.881 179.984 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.779 0.323 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.47 -26.04 41.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 20.3 mttm -95.19 25.97 4.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.57 -37.74 74.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -55.47 -28.35 53.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -58.88 -44.5 91.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.877 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -58.04 -26.53 62.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.635 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -71.64 -58.99 2.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.222 179.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.74 -21.4 27.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.352 179.024 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.416 HD13 ' CD2' ' B' ' 34' ' ' LEU . 0.0 OUTLIER -70.83 -52.63 26.56 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.579 179.927 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.411 ' N ' HG21 ' A' ' 10' ' ' ILE . 0.2 OUTLIER -63.61 -23.89 67.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.042 -179.903 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.578 ' CD2' ' CE1' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -76.47 -45.11 32.62 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.355 -179.923 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.578 ' CE1' ' CD2' ' A' ' 12' ' ' HIS . 10.5 m-70 -64.5 -26.38 68.4 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.83 0.347 . . . . 0.0 110.269 179.328 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.443 ' N ' HD12 ' B' ' 31' ' ' ILE . . . -69.88 -55.2 10.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.371 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.415 ' O ' ' CB ' ' A' ' 19' ' ' ARG . 2.1 mttp -68.17 -14.7 63.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.593 179.055 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.418 ' O ' ' CG ' ' A' ' 20' ' ' LEU . 8.1 mm-40 -84.55 -34.65 23.2 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.122 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.429 HG13 ' CB ' ' B' ' 28' ' ' LYS . 0.0 OUTLIER -78.29 -34.16 18.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.841 0.353 . . . . 0.0 110.35 179.601 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.28 -39.19 33.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.32 179.369 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.415 ' CB ' ' O ' ' A' ' 15' ' ' LYS . 0.7 OUTLIER -73.86 -29.02 61.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.475 179.632 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.459 ' CD1' ' CD2' ' B' ' 27' ' ' HIS . 12.9 mt -72.77 -39.89 66.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.048 179.393 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -61.91 -45.35 94.11 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.684 179.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.37 -36.93 85.33 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.721 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.59 -38.18 90.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.126 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.431 ' CG2' ' HB3' ' B' ' 20' ' ' LEU . 0.5 OUTLIER -65.14 -39.88 86.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.072 0.463 . . . . 0.0 110.23 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.424 ' N ' HG13 ' A' ' 24' ' ' ILE . 1.5 tp10 -58.57 -44.45 89.73 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.494 179.671 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.5 -49.86 73.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.35 179.627 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.468 ' CD2' ' CD1' ' B' ' 20' ' ' LEU . 2.6 m-70 -62.99 -25.05 68.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.462 179.531 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.441 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 8.3 ttpt -77.84 -26.18 49.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.83 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -76.37 -36.03 58.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.829 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.2 m -73.69 -41.13 63.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.681 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.446 ' HB ' ' CB ' ' B' ' 13' ' ' HIS . 5.0 tp -71.87 -27.28 27.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.222 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.69 -36.4 37.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.025 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.0 ttmt -77.96 -26.68 48.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.774 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.422 ' CD2' HD13 ' B' ' 10' ' ' ILE . 0.2 OUTLIER -80.32 -33.84 37.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.614 179.773 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.85 -34.46 62.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.662 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -77.43 -32.39 54.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.753 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 86.1 p -76.5 -27.71 56.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.755 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.69 -26.37 59.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.792 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -71.0 -28.41 64.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.797 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -106.17 -162.96 0.89 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.833 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.281 -0.866 . . . . 0.0 110.913 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.782 0.325 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.52 -26.04 41.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 20.6 mttm -95.09 25.96 3.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.58 -37.78 73.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.857 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -55.53 -28.3 53.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -58.93 -44.38 91.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.831 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -58.12 -26.55 62.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.688 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -71.77 -58.97 3.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.133 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.77 -21.32 27.59 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.295 179.034 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.422 HD13 ' CD2' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -70.74 -52.81 25.42 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.579 179.904 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' SER . . . . . 0.402 ' N ' HG21 ' B' ' 10' ' ' ILE . 0.2 OUTLIER -63.47 -23.69 67.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.053 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.569 ' CD2' ' CE1' ' B' ' 13' ' ' HIS . 0.0 OUTLIER -76.83 -44.73 31.23 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.405 -179.815 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . 0.569 ' CE1' ' CD2' ' B' ' 12' ' ' HIS . 10.6 m-70 -64.99 -26.2 68.19 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.246 179.313 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . 0.442 ' N ' HD11 ' A' ' 31' ' ' ILE . . . -70.31 -54.75 11.32 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.432 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . 0.4 ' O ' ' CB ' ' B' ' 19' ' ' ARG . 2.0 mttp -68.33 -15.03 63.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.635 179.034 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.419 ' O ' ' CG ' ' B' ' 20' ' ' LEU . 8.1 mm-40 -84.26 -34.85 23.74 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.039 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.429 HG13 ' CB ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -77.74 -34.6 20.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.926 0.393 . . . . 0.0 110.444 179.597 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.8 -39.21 36.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.422 179.334 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . 0.4 ' CB ' ' O ' ' B' ' 15' ' ' LYS . 0.8 OUTLIER -74.07 -28.32 61.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.51 179.657 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.468 ' CD1' ' CD2' ' A' ' 27' ' ' HIS . 13.0 mt -73.6 -39.29 64.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.045 179.472 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -62.59 -45.18 94.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.58 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.48 -37.03 85.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.731 179.763 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.36 -38.6 91.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.119 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . 0.434 ' CG2' ' HB3' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -64.78 -39.91 87.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.938 0.399 . . . . 0.0 110.178 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . 0.426 ' N ' HG13 ' B' ' 24' ' ' ILE . 1.4 tp10 -58.53 -44.41 89.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.544 179.72 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.45 -50.02 72.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.33 179.564 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . 0.459 ' CD2' ' CD1' ' A' ' 20' ' ' LEU . 2.7 m-70 -62.95 -24.96 68.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.519 179.464 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.44 ' HA ' ' CG2' ' B' ' 31' ' ' ILE . 8.2 ttpt -77.93 -26.14 48.74 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.772 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -76.57 -36.26 57.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.772 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 1.2 m -73.44 -41.03 63.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.715 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . 0.443 HD12 ' N ' ' A' ' 14' ' ' ALA . 5.4 tp -71.81 -27.67 28.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.221 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.3 -36.32 39.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.989 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 12.0 ttmt -77.96 -26.81 49.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.799 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.416 ' CD2' HD13 ' A' ' 10' ' ' ILE . 0.2 OUTLIER -80.25 -33.54 37.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.642 179.796 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.24 -34.37 61.4 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.776 179.766 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -77.55 -32.28 53.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.738 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 86.2 p -76.58 -27.67 55.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.791 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.61 -26.43 59.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.841 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -70.86 -28.42 64.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -106.17 -162.88 0.89 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.274 -0.87 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.842 0.353 . . . . 0.0 111.071 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.463 ' O ' ' CE1' ' A' ' 5' ' ' HIS . 2.1 mt -107.35 174.71 5.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.61 24.68 5.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.959 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -85.12 -30.21 24.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.847 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.463 ' CE1' ' O ' ' A' ' 2' ' ' LEU . 2.1 p-80 -55.53 -23.78 28.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.992 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.34 -57.91 7.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.867 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -52.24 -25.54 9.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.681 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -71.22 -58.29 3.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.386 179.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.478 ' O ' ' CD2' ' A' ' 13' ' ' HIS . 1.6 tp10 -56.67 -21.71 29.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.297 179.084 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.409 ' CG2' ' N ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -70.1 -54.24 19.77 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.511 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.409 ' N ' ' CG2' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -64.67 -25.23 67.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.743 179.883 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -75.53 -37.49 60.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.181 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.478 ' CD2' ' O ' ' A' ' 9' ' ' GLU . 13.2 m-70 -66.32 -32.25 73.54 Favored 'General case' 0 CA--C 1.52 -0.191 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 179.115 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.439 ' N ' HG13 ' B' ' 31' ' ' ILE . . . -64.75 -57.16 9.7 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.172 179.625 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp -62.28 -17.79 59.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.324 178.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.42 ' O ' ' CD2' ' A' ' 20' ' ' LEU . 31.9 tt0 -80.33 -34.48 36.65 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.973 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.436 HG13 ' N ' ' A' ' 18' ' ' GLU . 1.1 pp -72.57 -35.08 49.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.974 0.416 . . . . 0.0 110.619 179.784 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.436 ' N ' HG13 ' A' ' 17' ' ' ILE . 0.8 OUTLIER -75.19 -44.42 46.61 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.533 179.586 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -70.17 -24.63 63.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.481 179.513 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.437 ' HB3' ' CG2' ' B' ' 24' ' ' ILE . 1.4 mm? -71.14 -43.6 67.23 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.045 179.305 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.99 -50.54 73.34 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.404 179.446 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.6 -25.74 68.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.669 179.613 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -74.67 -31.51 61.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.934 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.449 ' CG2' ' HB3' ' B' ' 20' ' ' LEU . 0.5 OUTLIER -69.9 -42.67 79.84 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 CA-C-O 121.087 0.47 . . . . 0.0 110.057 179.837 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.421 ' N ' HG13 ' A' ' 24' ' ' ILE . 0.4 OUTLIER -63.29 -43.77 96.93 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.421 179.53 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -58.63 -37.38 75.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.311 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -68.8 -28.91 67.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.221 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.401 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 4.0 ttpt -72.41 -28.7 63.15 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.745 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.6 -35.62 52.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.801 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.1 m -75.34 -33.1 61.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.96 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.438 HG13 ' N ' ' B' ' 14' ' ' ALA . 0.0 OUTLIER -76.68 -31.6 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.974 179.898 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -76.96 -36.3 56.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.658 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.14 -33.33 61.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.658 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.47 HD11 ' CD2' ' B' ' 13' ' ' HIS . 3.7 mt -73.76 -32.74 63.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.605 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -71.46 -40.01 70.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.774 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 13.2 tp60 -75.71 -27.24 58.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.676 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.86 -25.9 48.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.763 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -73.82 -26.7 60.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -70.42 -27.18 64.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 59.0 156.63 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.91 179.946 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 120.893 0.378 . . . . 0.0 111.077 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . 0.466 ' O ' ' CE1' ' B' ' 5' ' ' HIS . 2.1 mt -107.32 174.82 5.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.73 24.64 5.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.947 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -85.11 -30.27 24.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.827 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . 0.466 ' CE1' ' O ' ' B' ' 2' ' ' LEU . 2.1 p-80 -55.35 -23.97 26.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.967 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.32 -57.74 7.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.896 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -52.34 -25.57 10.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.7 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -71.32 -58.18 3.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.319 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.472 ' O ' ' CD2' ' B' ' 13' ' ' HIS . 1.6 tp10 -56.79 -21.54 29.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.339 179.033 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.406 ' CG2' ' N ' ' B' ' 11' ' ' SER . 0.0 OUTLIER -70.28 -54.13 20.01 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.504 179.91 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' SER . . . . . 0.406 ' N ' ' CG2' ' B' ' 10' ' ' ILE . 0.2 OUTLIER -64.74 -25.31 67.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.789 179.919 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -75.36 -38.35 60.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.097 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . 0.472 ' CD2' ' O ' ' B' ' 9' ' ' GLU . 12.9 m-70 -65.33 -32.49 74.16 Favored 'General case' 0 CA--C 1.52 -0.197 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 179.097 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . 0.438 ' N ' HG13 ' A' ' 31' ' ' ILE . . . -64.73 -57.17 9.7 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.253 179.676 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 3.6 mmtp -62.19 -17.67 58.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.384 178.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.423 ' O ' ' CD2' ' B' ' 20' ' ' LEU . 31.8 tt0 -80.3 -34.83 36.51 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.023 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.43 HG13 ' N ' ' B' ' 18' ' ' GLU . 1.1 pp -72.18 -35.14 52.05 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 CA-C-O 120.963 0.411 . . . . 0.0 110.668 179.704 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.43 ' N ' HG13 ' B' ' 17' ' ' ILE . 0.8 OUTLIER -74.76 -44.83 47.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.452 179.525 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -69.85 -24.31 63.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.465 179.529 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.449 ' HB3' ' CG2' ' A' ' 24' ' ' ILE . 1.4 mm? -71.65 -42.74 67.19 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.115 179.345 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.65 -50.28 74.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.439 179.231 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.15 -25.43 68.08 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.641 179.591 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -74.7 -32.08 62.06 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.962 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . 0.437 ' CG2' ' HB3' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -69.66 -42.65 80.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.046 0.45 . . . . 0.0 110.009 179.803 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . 0.42 ' N ' HG13 ' B' ' 24' ' ' ILE . 0.4 OUTLIER -63.02 -44.05 97.02 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.476 179.573 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -58.54 -37.51 75.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.304 179.472 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -68.74 -28.84 67.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.333 179.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 4.0 ttpt -72.47 -28.8 63.14 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.694 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.36 -35.75 54.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.864 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -75.24 -33.17 61.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . 0.439 HG13 ' N ' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -76.76 -31.4 19.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.943 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -77.18 -36.07 55.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.645 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.23 -33.51 61.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.668 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.465 HD11 ' CD2' ' A' ' 13' ' ' HIS . 3.7 mt -73.53 -32.84 64.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.641 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -71.36 -40.22 70.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.74 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 13.1 tp60 -75.64 -27.11 58.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.672 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.89 -25.84 48.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.752 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -73.87 -26.69 60.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.86 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -70.41 -27.24 64.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 58.96 156.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.314 -0.85 . . . . 0.0 110.839 -179.966 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.843 0.354 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.447 ' O ' ' CE1' ' A' ' 5' ' ' HIS . 0.5 OUTLIER -63.86 179.87 0.47 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.83 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -95.05 24.94 4.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.948 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -81.29 -34.01 32.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.823 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.447 ' CE1' ' O ' ' A' ' 2' ' ' LEU . 1.9 p-80 -51.28 -24.72 4.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.928 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -65.01 -48.13 75.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.806 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -56.46 -26.42 53.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.665 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -70.97 -59.14 2.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.215 179.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.471 ' O ' ' CD2' ' A' ' 13' ' ' HIS . 1.9 mt-10 -56.71 -21.57 28.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.33 179.229 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.431 HD13 ' CD1' ' B' ' 34' ' ' LEU . 0.0 OUTLIER -70.46 -51.51 37.11 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.697 179.928 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.429 ' N ' HG21 ' A' ' 10' ' ' ILE . 21.4 p -66.34 -22.03 66.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.15 -179.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.577 ' CD2' ' CE1' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -80.59 -39.4 27.62 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.559 -179.768 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.577 ' CE1' ' CD2' ' A' ' 12' ' ' HIS . 8.5 m-70 -70.8 -24.49 62.57 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.328 179.256 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.447 ' N ' HD12 ' B' ' 31' ' ' ILE . . . -75.44 -51.75 12.32 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.447 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.416 ' O ' ' CB ' ' A' ' 19' ' ' ARG . 3.7 mttp -74.15 -14.56 60.98 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.441 178.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.481 ' HG2' ' CG ' ' B' ' 27' ' ' HIS . 0.6 OUTLIER -87.02 -33.5 19.55 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.722 179.777 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.429 HG22 HD11 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -77.64 -35.67 21.81 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 CA-C-O 120.859 0.362 . . . . 0.0 110.406 179.503 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.65 -39.09 37.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.325 179.254 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.416 ' CB ' ' O ' ' A' ' 15' ' ' LYS . 13.8 tpt85 -73.76 -27.31 61.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.513 179.571 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.482 HD13 ' CD2' ' B' ' 27' ' ' HIS . 13.0 mt -73.1 -41.2 64.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.012 179.417 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -61.13 -46.74 89.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.528 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.87 -33.08 74.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.764 179.748 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.05 -35.06 77.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.059 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.431 ' CG2' ' HB3' ' B' ' 20' ' ' LEU . 0.5 OUTLIER -66.99 -41.54 87.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.066 0.46 . . . . 0.0 110.117 179.844 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.418 ' N ' HG13 ' A' ' 24' ' ' ILE . 10.9 tt0 -59.16 -44.43 92.11 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.611 179.614 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.84 -49.4 73.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.245 179.554 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.484 ' CD2' HD13 ' B' ' 20' ' ' LEU . 25.0 m-70 -65.33 -23.46 67.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.624 179.404 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.43 ' CB ' HG13 ' B' ' 17' ' ' ILE . 0.2 OUTLIER -73.41 -32.64 64.55 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.655 179.831 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.74 -32.46 57.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.713 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.8 p -74.98 -35.14 62.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.697 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.443 ' HB ' ' CB ' ' B' ' 13' ' ' HIS . 7.1 tp -73.31 -34.99 45.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.079 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 48.3 mmtt -76.57 -33.97 58.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.648 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.4 mtpm? -73.87 -31.93 63.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.444 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.427 ' CD1' HD13 ' B' ' 10' ' ' ILE . 0.0 OUTLIER -70.53 -42.18 71.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.538 179.678 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.91 -38.97 92.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.792 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -75.54 -25.65 57.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.06 -25.31 40.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -76.98 -25.73 53.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -72.79 -28.15 62.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 50.81 86.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.926 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.292 -0.861 . . . . 0.0 110.919 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.793 0.33 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . 0.443 ' O ' ' CE1' ' B' ' 5' ' ' HIS . 0.5 OUTLIER -63.93 179.75 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -94.88 24.92 4.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.909 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -81.16 -34.03 32.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.921 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . 0.443 ' CE1' ' O ' ' B' ' 2' ' ' LEU . 1.9 p-80 -51.35 -24.81 5.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.78 -47.75 77.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.861 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -57.06 -25.31 58.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.99 0.424 . . . . 0.0 110.724 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 8.6 m-20 -72.29 -58.41 3.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.219 179.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.468 ' O ' ' CD2' ' B' ' 13' ' ' HIS . 1.9 mt-10 -57.06 -21.81 34.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.343 179.107 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.427 HD13 ' CD1' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -70.37 -52.93 25.42 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.465 179.909 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 21.0 p -64.87 -22.1 66.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.219 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.582 ' CD2' ' CE1' ' B' ' 13' ' ' HIS . 0.0 OUTLIER -80.45 -39.98 27.15 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 116.565 -0.288 . . . . 0.0 110.644 -179.802 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . 0.582 ' CE1' ' CD2' ' B' ' 12' ' ' HIS . 8.6 m-70 -70.3 -24.28 63.0 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.402 179.262 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . 0.443 ' N ' HD12 ' A' ' 31' ' ' ILE . . . -75.57 -51.99 11.62 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.39 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . 0.417 ' O ' ' CB ' ' B' ' 19' ' ' ARG . 3.7 mttp -73.92 -14.18 61.01 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.445 178.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.478 ' HG2' ' CE1' ' A' ' 27' ' ' HIS . 0.6 OUTLIER -87.28 -33.63 19.19 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.762 179.786 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.453 HG22 HD11 ' B' ' 17' ' ' ILE . 0.0 OUTLIER -77.73 -35.45 21.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.812 0.339 . . . . 0.0 110.358 179.537 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.89 -39.22 35.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.361 179.218 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . 0.417 ' CB ' ' O ' ' B' ' 15' ' ' LYS . 13.9 tpt85 -73.63 -27.53 61.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.534 179.541 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.484 HD13 ' CD2' ' A' ' 27' ' ' HIS . 13.2 mt -72.69 -41.71 65.01 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 109.892 179.379 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -60.49 -46.85 88.6 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.504 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.97 -32.89 74.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.753 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.33 -34.64 76.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.037 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . 0.433 ' CG2' ' HB3' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -67.56 -41.4 85.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.965 0.412 . . . . 0.0 110.029 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . 0.42 ' N ' HG13 ' B' ' 24' ' ' ILE . 11.5 tt0 -59.3 -44.51 92.52 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.5 179.593 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.66 -49.38 73.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.255 179.611 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . 0.482 ' CD2' HD13 ' A' ' 20' ' ' LEU . 25.0 m-70 -65.25 -23.81 67.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.569 179.459 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.422 ' CB ' HG13 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -73.02 -32.87 65.38 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.7 179.824 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.56 -32.31 58.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.771 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 96.1 p -74.94 -35.29 62.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.758 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . 0.447 HD12 ' N ' ' A' ' 14' ' ' ALA . 7.1 tp -73.32 -34.83 44.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.123 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 48.7 mmtt -76.52 -34.29 58.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.578 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 6.4 mttm -73.56 -31.94 63.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.524 179.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.431 ' CD1' HD13 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -70.48 -42.25 71.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.59 179.709 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.98 -38.82 92.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.881 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -75.58 -25.79 57.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.87 -25.48 40.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -76.74 -25.89 53.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.802 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -72.72 -28.24 62.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 50.9 86.89 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.228 -0.891 . . . . 0.0 110.858 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.418 ' CB ' ' HG3' ' A' ' 4' ' ' LYS . . . . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.775 0.322 . . . . 0.0 111.038 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 tp -97.59 139.71 33.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.4 mptt 54.59 32.14 16.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.418 ' HG3' ' CB ' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -61.26 -37.44 83.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.922 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 5.0 p-80 -56.23 -46.9 79.37 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.831 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.32 -47.11 87.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.799 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 57.2 tt0 -57.24 -25.16 58.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.644 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -71.68 -58.48 3.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.311 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.48 ' HG3' ' CE1' ' A' ' 13' ' ' HIS . 3.2 tp10 -57.97 -21.96 46.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.528 179.217 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.428 HD13 ' CD2' ' B' ' 34' ' ' LEU . 0.0 OUTLIER -73.01 -50.52 31.64 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.499 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 11.4 m -62.42 -29.18 70.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.574 ' CD2' ' CE1' ' A' ' 13' ' ' HIS . 0.1 OUTLIER -70.8 -46.64 62.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.213 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.574 ' CE1' ' CD2' ' A' ' 12' ' ' HIS . 11.5 m-70 -63.24 -26.83 68.97 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.215 179.062 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.431 ' N ' HD12 ' B' ' 31' ' ' ILE . . . -65.86 -52.01 53.91 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.452 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.44 -21.23 66.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.373 179.198 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.484 ' HB3' ' CE1' ' B' ' 27' ' ' HIS . 44.5 mm-40 -74.2 -42.94 59.0 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.221 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.437 ' CD1' ' HB2' ' B' ' 28' ' ' LYS . 0.3 OUTLIER -71.32 -38.15 68.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.785 0.326 . . . . 0.0 110.565 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -71.88 -29.73 64.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.916 0.389 . . . . 0.0 110.636 179.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -72.54 -41.16 66.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.118 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.45 ' CB ' ' HB ' ' B' ' 24' ' ' ILE . 3.8 mm? -71.99 -26.15 62.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.593 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.4 ' O ' HG21 ' A' ' 24' ' ' ILE . 1.8 tt0 -74.82 -34.83 62.41 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.422 179.45 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.48 -31.82 65.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.016 179.337 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.428 ' HB2' ' CD1' ' B' ' 20' ' ' LEU . 3.9 mm-40 -70.05 -49.35 52.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.989 179.764 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.451 ' HB ' ' CB ' ' B' ' 20' ' ' LEU . 2.9 tt -65.01 -26.7 40.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 179.461 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 73.6 tt0 -64.59 -48.28 75.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.577 179.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.9 ttm180 -66.2 -39.3 89.56 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.821 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.479 ' CG ' ' HB3' ' B' ' 16' ' ' GLU . 11.2 m-70 -72.35 -19.65 61.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.047 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.429 ' HB2' ' CD1' ' B' ' 17' ' ' ILE . 0.2 OUTLIER -79.2 -36.52 40.03 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.93 0.395 . . . . 0.0 110.552 179.714 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -75.61 -28.67 58.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.496 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.2 t -77.94 -41.81 35.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.846 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.439 HD12 ' N ' ' B' ' 14' ' ' ALA . 5.6 tp -75.74 -27.08 18.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.008 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.4 -32.4 29.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.548 179.553 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.5 tttt -76.87 -32.37 57.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.49 179.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.48 HD13 ' CD2' ' B' ' 13' ' ' HIS . 0.4 OUTLIER -74.22 -40.34 62.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.503 179.607 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.99 -35.93 77.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.581 179.723 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.06 -28.27 62.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.436 179.647 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.7 m -67.95 -29.61 68.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.52 179.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -61.8 -31.66 71.9 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.703 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.05 -24.91 61.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.929 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 70.82 109.41 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.951 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.232 -0.89 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . 0.407 ' CB ' ' HG3' ' B' ' 4' ' ' LYS . . . . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.843 0.354 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 tp -97.55 139.65 33.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.938 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 3.4 mptt 54.51 32.3 16.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.929 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . 0.407 ' HG3' ' CB ' ' B' ' 1' ' ' ALA . 0.0 OUTLIER -61.31 -37.48 83.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 5.0 p-80 -56.12 -47.0 78.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.811 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.36 -47.05 87.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.813 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 57.1 tt0 -57.17 -25.29 58.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.672 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -71.56 -58.45 3.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.415 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.474 ' HG3' ' CE1' ' B' ' 13' ' ' HIS . 3.2 tp10 -58.08 -22.0 48.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.456 179.269 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.428 HD13 ' CD2' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -73.02 -50.38 32.55 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.508 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 11.5 m -62.53 -29.21 70.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.856 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.572 ' CD2' ' CE1' ' B' ' 13' ' ' HIS . 0.0 OUTLIER -70.79 -46.59 62.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.189 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . 0.572 ' CE1' ' CD2' ' B' ' 12' ' ' HIS . 11.5 m-70 -63.28 -26.86 68.97 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.78 0.324 . . . . 0.0 110.15 179.124 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . 0.439 ' N ' HD12 ' A' ' 31' ' ' ILE . . . -65.93 -51.9 54.47 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.463 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.38 -21.36 66.67 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.418 179.1 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.479 ' HB3' ' CG ' ' A' ' 27' ' ' HIS . 44.7 mm-40 -74.12 -42.94 59.25 Favored 'General case' 0 N--CA 1.456 -0.144 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.29 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.429 ' CD1' ' HB2' ' A' ' 28' ' ' LYS . 0.3 OUTLIER -71.37 -38.15 67.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-O 120.791 0.329 . . . . 0.0 110.596 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -71.76 -29.84 64.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.943 0.401 . . . . 0.0 110.655 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -72.49 -41.15 66.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.118 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.451 ' CB ' ' HB ' ' A' ' 24' ' ' ILE . 3.8 mm? -72.1 -26.1 62.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.516 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . 0.402 ' O ' HG21 ' B' ' 24' ' ' ILE . 1.8 tt0 -74.76 -34.91 62.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.409 179.433 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.43 -31.82 65.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.037 179.32 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . 0.432 ' HB2' ' CD1' ' A' ' 20' ' ' LEU . 3.9 mm-40 -70.17 -49.36 51.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.906 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . 0.45 ' HB ' ' CB ' ' A' ' 20' ' ' LEU . 2.9 tt -64.91 -26.84 41.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 179.453 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 73.6 tt0 -64.41 -48.39 75.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.589 179.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 2.9 ttm180 -66.23 -39.26 89.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.818 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . 0.484 ' CE1' ' HB3' ' A' ' 16' ' ' GLU . 11.3 m-70 -72.36 -19.64 61.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.091 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.437 ' HB2' ' CD1' ' A' ' 17' ' ' ILE . 0.2 OUTLIER -79.15 -36.53 40.3 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.845 0.355 . . . . 0.0 110.546 179.686 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -75.66 -28.64 58.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.468 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 5.3 t -77.99 -41.73 35.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.887 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . 0.432 ' CD1' ' HB2' ' A' ' 13' ' ' HIS . 5.6 tp -75.84 -27.05 18.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.947 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.51 -32.22 28.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.538 179.548 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 16.5 tttt -76.91 -32.46 57.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.42 179.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.48 HD13 ' CD2' ' A' ' 13' ' ' HIS . 0.4 OUTLIER -74.23 -40.32 62.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.483 179.689 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.88 -35.96 77.5 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.574 179.664 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.05 -28.24 62.22 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.503 179.603 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 1.7 m -67.95 -29.54 68.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.569 179.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -61.87 -31.61 71.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.75 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.1 -24.86 61.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.934 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 70.85 109.38 0.06 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.957 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.763 0.316 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.59 99.82 8.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.936 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.71 49.92 0.97 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.5 pttm -94.8 25.06 4.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -88.64 -33.87 17.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.794 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.417 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 1.0 OUTLIER -62.91 -39.47 94.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.828 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 83.0 mt-10 -63.61 -22.54 66.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.677 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -75.77 -60.05 2.49 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.919 0.39 . . . . 0.0 110.145 179.544 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.48 ' HG3' ' CE1' ' A' ' 13' ' ' HIS . 1.3 tp10 -65.72 -14.37 61.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.442 178.709 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.44 ' O ' ' CD1' ' B' ' 31' ' ' ILE . 13.3 mt -81.68 -43.35 19.88 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.985 179.755 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.1 t -66.02 -29.36 69.71 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.026 0.441 . . . . 0.0 110.227 179.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.518 ' CD2' ' ND1' ' A' ' 13' ' ' HIS . 0.1 OUTLIER -72.64 -48.15 41.7 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.16 179.702 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.518 ' ND1' ' CD2' ' A' ' 12' ' ' HIS . 11.9 m-70 -59.88 -28.27 67.41 Favored 'General case' 0 CA--C 1.521 -0.151 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.469 179.477 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.433 ' N ' HD11 ' B' ' 31' ' ' ILE . . . -67.28 -55.9 12.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.389 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.81 -13.89 62.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.62 178.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.415 ' O ' ' CD1' ' A' ' 20' ' ' LEU . 4.9 mm-40 -83.18 -35.26 25.63 Favored 'General case' 0 N--CA 1.457 -0.09 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.158 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.432 HG13 ' CB ' ' B' ' 28' ' ' LYS . 0.0 OUTLIER -76.17 -34.95 27.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-O 120.85 0.357 . . . . 0.0 110.465 179.658 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -77.41 -39.24 47.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.468 179.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 -73.5 -27.45 61.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.599 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.441 ' HB3' ' CG2' ' B' ' 24' ' ' ILE . 3.7 mp -72.46 -40.9 66.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.109 179.354 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -61.71 -47.56 84.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.595 179.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.3 ttpt -63.64 -31.87 73.17 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.587 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.71 -35.46 77.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.959 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.442 ' CG2' ' HB3' ' B' ' 20' ' ' LEU . 0.5 OUTLIER -66.75 -41.73 88.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.034 0.445 . . . . 0.0 110.126 179.888 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.409 ' N ' HG13 ' A' ' 24' ' ' ILE . 0.2 OUTLIER -59.42 -43.92 92.98 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.492 179.647 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.76 -49.0 74.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.333 179.552 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.29 -25.83 68.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.649 179.622 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.43 ' CB ' HG13 ' B' ' 17' ' ' ILE . 0.5 OUTLIER -73.81 -33.35 64.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.925 179.868 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -73.3 -32.91 64.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.793 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -75.11 -40.65 59.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.093 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.437 ' HB ' ' HB3' ' B' ' 13' ' ' HIS . 0.0 OUTLIER -76.88 -24.55 15.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.878 0.37 . . . . 0.0 111.105 -179.886 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.3 mmtt -81.0 -31.9 34.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.483 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 35.0 tttt -78.87 -31.65 45.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.64 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.1 mt -77.59 -33.89 53.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.667 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.08 -33.92 61.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.738 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.78 -26.32 37.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.822 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.3 m -82.52 -26.79 32.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.717 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -78.66 -25.65 44.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.769 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -75.53 -25.8 57.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -162.89 91.78 0.75 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.94 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.186 -0.911 . . . . 0.0 110.871 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 120.849 0.357 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.66 99.92 8.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.92 50.05 0.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.881 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 4.5 pttm -94.97 25.4 4.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -89.01 -33.48 17.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.778 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . 0.417 ' O ' ' CG1' ' B' ' 10' ' ' ILE . 1.0 OUTLIER -63.37 -39.32 94.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 83.2 mt-10 -63.35 -23.89 67.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.749 0.309 . . . . 0.0 110.667 179.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -74.48 -59.94 2.5 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.153 179.578 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.487 ' HG3' ' CE1' ' B' ' 13' ' ' HIS . 1.4 tp10 -66.15 -13.92 60.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.567 178.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.417 ' CG1' ' O ' ' B' ' 6' ' ' HIS . 12.9 mt -82.05 -41.69 18.39 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.074 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 2.9 t -68.81 -28.59 66.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.17 179.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.525 ' CD2' ' ND1' ' B' ' 13' ' ' HIS . 0.1 OUTLIER -73.33 -48.36 34.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.213 179.682 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . 0.525 ' ND1' ' CD2' ' B' ' 12' ' ' HIS . 12.9 m-70 -60.44 -28.35 68.22 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.268 179.285 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . 0.434 ' N ' HG13 ' A' ' 31' ' ' ILE . . . -66.16 -56.27 12.2 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.364 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.41 -14.27 62.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.61 178.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.418 ' O ' ' CD1' ' B' ' 20' ' ' LEU . 4.9 mm-40 -82.6 -34.62 27.58 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.066 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.43 HG13 ' CB ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -76.44 -35.19 26.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 120.86 0.362 . . . . 0.0 110.404 179.735 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -77.42 -38.97 48.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.408 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 30.2 mmt180 -73.69 -27.71 61.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.526 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.442 ' HB3' ' CG2' ' A' ' 24' ' ' ILE . 3.6 mp -72.49 -40.81 66.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.051 179.469 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -61.76 -47.41 85.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.527 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 7.4 ttpt -63.77 -31.57 72.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.621 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.96 -35.29 76.59 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.994 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . 0.441 ' CG2' ' HB3' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -66.94 -41.62 87.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.062 0.458 . . . . 0.0 110.103 179.909 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . 0.412 ' N ' HG13 ' B' ' 24' ' ' ILE . 0.2 OUTLIER -59.58 -43.8 93.55 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.42 179.682 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.84 -49.04 74.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.256 179.537 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.42 -26.11 68.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.402 179.334 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.449 ' HA ' ' CG2' ' B' ' 31' ' ' ILE . 0.4 OUTLIER -73.72 -28.97 61.99 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.886 179.824 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -76.29 -34.1 59.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.579 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 1.1 m -73.57 -41.12 63.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.773 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . 0.449 ' CG2' ' HA ' ' B' ' 28' ' ' LYS . 2.8 tp -72.74 -29.18 29.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 13.7 mmtt -79.53 -32.07 42.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.001 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 31.5 tttt -79.7 -30.06 40.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.888 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 5.2 mt -80.2 -31.42 38.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.658 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.2 -33.02 50.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.698 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.33 -27.05 35.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.685 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 3.3 m -82.0 -26.86 33.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.743 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -78.55 -25.72 45.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.774 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -75.64 -25.73 57.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.915 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -162.95 91.9 0.75 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.914 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.197 -0.906 . . . . 0.0 110.912 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.831 0.348 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -56.96 174.73 0.15 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.522 ' CG ' ' CE1' ' A' ' 5' ' ' HIS . 1.8 mptp? -86.07 -83.79 0.17 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.936 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm 50.05 25.38 1.68 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.954 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.522 ' CE1' ' CG ' ' A' ' 3' ' ' LYS . 1.7 p-80 -104.21 -30.4 10.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.563 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -74.05 -37.5 64.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.741 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.49 -33.38 74.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.601 179.726 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 51.0 m-20 -70.03 -56.54 6.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.112 179.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.469 ' O ' ' CD2' ' A' ' 13' ' ' HIS . 0.7 OUTLIER -58.42 -20.18 42.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.257 178.946 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.412 HG21 ' N ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -71.14 -52.16 29.3 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.596 179.924 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.412 ' N ' HG21 ' A' ' 10' ' ' ILE . 18.3 p -64.86 -24.54 67.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.018 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.569 ' CD2' ' CE1' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -76.98 -42.44 38.87 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.595 -179.894 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.569 ' CE1' ' CD2' ' A' ' 12' ' ' HIS . 7.8 m-70 -67.16 -25.34 66.11 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.2 179.092 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.456 ' N ' HD12 ' B' ' 31' ' ' ILE . . . -70.38 -55.2 9.67 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.089 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.6 -12.77 61.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.329 178.627 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.424 ' O ' ' CD2' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -83.29 -38.59 21.94 Favored 'General case' 0 N--CA 1.456 -0.175 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.165 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.47 ' CD1' ' CG ' ' B' ' 28' ' ' LYS . 2.6 tt -74.4 -34.37 36.14 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-O 120.877 0.37 . . . . 0.0 110.379 179.514 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -76.33 -41.65 47.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.573 179.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? -73.18 -25.02 60.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.659 179.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.445 ' HB3' ' CG2' ' B' ' 24' ' ' ILE . 1.6 mm? -73.81 -39.67 63.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.942 179.418 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -62.67 -49.88 73.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.343 179.416 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.48 -29.51 70.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.44 179.628 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.21 -36.14 76.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.761 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.445 ' CG2' ' HB3' ' B' ' 20' ' ' LEU . 0.5 OUTLIER -66.53 -41.73 88.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.036 0.446 . . . . 0.0 110.053 179.857 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.414 ' N ' HG13 ' A' ' 24' ' ' ILE . 10.9 tt0 -58.78 -43.87 90.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.391 179.556 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.5 tpp85 -56.1 -48.25 76.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.431 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -63.59 -25.44 68.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.478 179.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.456 ' CG ' ' CD1' ' B' ' 17' ' ' ILE . 0.0 OUTLIER -72.35 -35.61 68.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.825 179.842 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -73.4 -31.54 63.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.975 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.3 t -73.47 -36.69 65.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.802 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.453 HD12 ' N ' ' B' ' 14' ' ' ALA . 5.7 tp -71.11 -35.13 57.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.15 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.7 mmtp -76.4 -34.11 58.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.934 0.397 . . . . 0.0 110.76 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.3 mttt -74.96 -28.55 60.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.449 179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -72.73 -43.03 63.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.553 179.676 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.21 -37.98 86.86 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.781 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 41.6 tp60 -74.07 -25.17 59.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.848 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.2 t -76.37 -35.95 58.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.92 -25.69 64.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.86 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -73.77 -25.45 60.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 70.23 171.02 0.31 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.912 179.997 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.81 0.338 . . . . 0.0 111.065 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -56.96 174.74 0.15 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.831 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . 0.525 ' CG ' ' CE1' ' B' ' 5' ' ' HIS . 1.8 mptp? -86.2 -83.81 0.18 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm 50.09 25.36 1.69 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.028 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . 0.525 ' CE1' ' CG ' ' B' ' 3' ' ' LYS . 1.7 p-80 -104.21 -30.4 10.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.567 179.781 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -74.01 -37.65 64.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.713 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.46 -33.29 74.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.552 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 50.6 m-20 -70.1 -56.67 6.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.085 179.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.469 ' O ' ' CD2' ' B' ' 13' ' ' HIS . 0.7 OUTLIER -58.26 -20.26 40.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.298 178.922 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.42 HG21 ' N ' ' B' ' 11' ' ' SER . 0.0 OUTLIER -71.11 -52.07 30.04 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.618 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' SER . . . . . 0.42 ' N ' HG21 ' B' ' 10' ' ' ILE . 18.2 p -64.87 -24.59 67.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.006 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.58 ' CD2' ' CE1' ' B' ' 13' ' ' HIS . 0.0 OUTLIER -76.85 -42.57 39.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.52 -179.836 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . 0.58 ' CE1' ' CD2' ' B' ' 12' ' ' HIS . 7.8 m-70 -66.99 -25.58 66.38 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.146 179.122 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . 0.453 ' N ' HD12 ' A' ' 31' ' ' ILE . . . -70.1 -55.3 9.81 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.044 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.62 -12.69 61.67 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.283 178.628 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.423 ' O ' ' CD2' ' B' ' 20' ' ' LEU . 0.1 OUTLIER -83.44 -38.52 21.78 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.144 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.456 ' CD1' ' CG ' ' A' ' 28' ' ' LYS . 2.6 tt -74.53 -34.21 34.79 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-O 120.904 0.383 . . . . 0.0 110.339 179.559 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -76.5 -41.49 46.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.655 179.495 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? -73.23 -25.09 60.59 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.609 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.445 ' HB3' ' CG2' ' A' ' 24' ' ' ILE . 1.6 mm? -73.64 -39.78 64.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 109.945 179.411 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -62.69 -49.77 73.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.402 179.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.53 -29.59 70.83 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.42 179.62 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.1 -36.04 77.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.794 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . 0.445 ' CG2' ' HB3' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -66.62 -41.62 88.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.032 0.444 . . . . 0.0 110.057 179.854 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . 0.408 ' N ' HG13 ' B' ' 24' ' ' ILE . 10.9 tt0 -58.88 -43.79 91.0 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.43 179.57 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 6.5 tpp85 -56.1 -48.43 76.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.389 179.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . 0.406 ' CG ' ' HB3' ' A' ' 16' ' ' GLU . 1.7 m-70 -63.39 -25.55 68.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.525 179.614 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.47 ' CG ' ' CD1' ' A' ' 17' ' ' ILE . 0.0 OUTLIER -72.23 -35.84 68.97 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.828 179.876 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -73.24 -31.31 64.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.937 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 1.3 t -73.71 -36.67 65.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.786 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . 0.456 HD12 ' N ' ' A' ' 14' ' ' ALA . 5.7 tp -71.19 -34.91 56.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.185 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 5.7 mmtp -76.6 -34.09 58.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.769 179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 18.3 mttt -74.9 -28.61 60.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.437 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -72.74 -42.94 63.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.554 179.711 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.23 -37.89 86.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.823 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 41.6 tp60 -74.22 -25.15 59.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.784 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 2.2 t -76.37 -35.82 58.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.96 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.07 -25.63 64.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.826 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -73.8 -25.49 60.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 70.17 170.99 0.31 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.925 179.974 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.848 0.356 . . . . 0.0 111.053 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.4 mp -93.85 80.79 4.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.46 ' HG2' ' CE1' ' A' ' 6' ' ' HIS . 0.2 OUTLIER -52.19 -65.66 0.52 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.434 ' CB ' ' O ' ' A' ' 3' ' ' LYS . 0.4 OUTLIER 85.15 -48.17 0.08 Allowed 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.294 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -48.9 -32.53 9.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.944 0.402 . . . . 0.0 110.903 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.46 ' CE1' ' HG2' ' A' ' 3' ' ' LYS . 0.3 OUTLIER -60.89 -54.92 39.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.375 179.677 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -52.76 -23.3 6.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.709 179.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -69.78 -60.96 1.98 Allowed 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.867 0.365 . . . . 0.0 110.503 179.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.475 ' CG ' ' NE2' ' A' ' 13' ' ' HIS . 1.3 tt0 -68.58 -11.18 59.64 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.76 179.113 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.425 ' CD1' ' HA ' ' B' ' 35' ' ' LYS . 68.8 mt -86.35 -32.07 6.59 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.903 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.3 t -76.8 -29.98 56.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.704 179.029 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.516 ' CD2' ' ND1' ' A' ' 13' ' ' HIS . 0.2 OUTLIER -72.62 -50.29 26.28 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.639 179.195 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.516 ' ND1' ' CD2' ' A' ' 12' ' ' HIS . 14.2 m-70 -58.32 -36.22 73.04 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.033 179.275 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.435 ' N ' HG13 ' B' ' 31' ' ' ILE . . . -58.52 -52.75 64.31 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.298 179.713 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.0 tttt -60.3 -21.93 62.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.326 179.027 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.473 ' HB3' ' CE1' ' B' ' 27' ' ' HIS . 6.7 mm-40 -75.51 -39.01 59.01 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.258 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.438 HG13 ' N ' ' A' ' 18' ' ' GLU . 1.1 pp -70.03 -34.61 60.36 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 CA-C-O 120.963 0.411 . . . . 0.0 110.978 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.438 ' N ' HG13 ' A' ' 17' ' ' ILE . 3.6 tt0 -73.51 -41.15 63.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.826 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.4 mtt180 -69.03 -30.79 69.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.573 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.471 ' CD1' ' CD1' ' B' ' 20' ' ' LEU . 0.1 OUTLIER -69.36 -39.87 77.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.327 179.562 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -61.72 -46.73 88.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.483 179.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.9 mtpt -60.9 -34.14 74.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.684 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.63 -39.47 88.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.007 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.429 HG13 ' N ' ' A' ' 25' ' ' GLU . 0.5 OUTLIER -62.27 -40.76 88.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.997 0.427 . . . . 0.0 110.2 179.88 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.429 ' N ' HG13 ' A' ' 24' ' ' ILE . 17.7 tp10 -61.9 -40.87 96.92 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.36 179.579 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.26 -43.29 78.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.157 179.513 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.473 ' CE1' ' HB3' ' B' ' 16' ' ' GLU . 0.2 OUTLIER -67.25 -28.11 67.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.167 179.394 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.436 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 1.4 tmmt? -73.59 -25.72 60.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.684 179.676 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -77.14 -39.41 49.31 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.67 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.25 -36.18 68.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.827 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.442 HG13 ' N ' ' B' ' 14' ' ' ALA . 0.0 OUTLIER -76.26 -32.82 22.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.012 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.65 -27.67 51.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.662 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.82 -36.45 56.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.629 179.812 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 mt -71.6 -38.61 70.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.783 179.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.423 ' HA ' ' CD1' ' B' ' 10' ' ' ILE . 5.4 ttmm -70.28 -34.63 72.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -70.95 -33.01 70.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 28.7 p -68.15 -29.06 67.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -67.43 -27.55 67.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.29 -25.84 26.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 70.55 -84.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.919 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.8 0.333 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 1.4 mp -93.88 80.77 4.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . 0.464 ' HG2' ' CE1' ' B' ' 6' ' ' HIS . 0.2 OUTLIER -52.18 -65.7 0.51 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 179.932 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . 0.435 ' CB ' ' O ' ' B' ' 3' ' ' LYS . 0.4 OUTLIER 85.13 -48.17 0.08 Allowed 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.261 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -48.89 -32.34 8.77 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.877 0.37 . . . . 0.0 110.857 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . 0.464 ' CE1' ' HG2' ' B' ' 3' ' ' LYS . 0.3 OUTLIER -61.07 -54.87 39.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.323 179.736 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -52.85 -23.35 6.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.684 179.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -69.75 -60.87 2.04 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.55 179.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.465 ' CG ' ' NE2' ' B' ' 13' ' ' HIS . 1.3 tt0 -68.76 -11.1 59.94 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.776 179.002 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.423 ' CD1' ' HA ' ' A' ' 35' ' ' LYS . 68.9 mt -86.65 -31.42 6.2 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.936 179.765 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 2.3 t -77.27 -29.91 54.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.65 178.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.518 ' CD2' ' ND1' ' B' ' 13' ' ' HIS . 0.2 OUTLIER -72.77 -50.18 26.09 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.622 179.216 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . 0.518 ' ND1' ' CD2' ' B' ' 12' ' ' HIS . 14.1 m-70 -58.25 -36.44 73.21 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.12 179.207 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . 0.442 ' N ' HG13 ' A' ' 31' ' ' ILE . . . -58.32 -52.49 65.36 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.311 179.691 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -60.73 -21.65 63.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.319 179.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.473 ' HB3' ' CE1' ' A' ' 27' ' ' HIS . 6.6 mm-40 -75.99 -38.2 57.68 Favored 'General case' 0 C--N 1.334 -0.097 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.271 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.434 HG13 ' N ' ' B' ' 18' ' ' GLU . 1.1 pp -70.94 -34.24 54.96 Favored 'Isoleucine or valine' 0 C--O 1.232 0.168 0 CA-C-O 120.933 0.397 . . . . 0.0 110.976 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.434 ' N ' HG13 ' B' ' 17' ' ' ILE . 3.8 tt0 -74.23 -41.03 62.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.781 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 -68.34 -32.53 72.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.555 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.471 ' CD1' ' CD1' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -66.52 -44.58 82.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.044 179.439 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -57.2 -47.49 81.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.706 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 4.8 mtpt -60.23 -33.17 71.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.626 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.48 -39.34 85.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.131 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . 0.433 ' CG2' ' HB3' ' A' ' 20' ' ' LEU . 0.6 OUTLIER -62.64 -40.28 87.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.987 0.422 . . . . 0.0 110.255 179.919 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . 0.424 ' N ' HG13 ' B' ' 24' ' ' ILE . 18.1 tp10 -62.2 -40.9 97.61 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.34 179.603 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.39 -42.93 78.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.143 179.477 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . 0.473 ' CE1' ' HB3' ' A' ' 16' ' ' GLU . 0.2 OUTLIER -67.52 -28.24 67.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.154 179.357 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.433 ' HA ' ' CG2' ' B' ' 31' ' ' ILE . 1.4 tmmt? -73.63 -25.71 60.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.722 179.714 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -77.19 -39.47 48.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.621 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.2 -36.18 69.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.779 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . 0.435 HG13 ' N ' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -76.17 -32.84 23.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.065 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.7 -27.48 50.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.672 179.783 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.88 -36.43 56.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.633 179.763 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.8 mt -71.67 -38.51 70.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.74 179.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . 0.425 ' HA ' ' CD1' ' A' ' 10' ' ' ILE . 5.5 ttmm -70.52 -34.42 72.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.803 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -71.16 -32.91 69.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.887 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 28.7 p -68.23 -29.11 67.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -67.39 -27.56 67.19 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.3 -25.78 26.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 70.47 -84.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.998 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.316 -0.85 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.299 0 CA-C-O 120.835 0.35 . . . . 0.0 111.065 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.3 mp -63.55 -175.55 0.13 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.89 71.27 0.93 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -84.8 -39.37 18.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.86 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 16.6 p-80 -50.95 -32.39 20.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.79 -55.66 21.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -51.56 -24.74 5.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.815 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -71.54 -59.08 2.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.332 179.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.01 -21.87 23.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.359 179.092 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.425 ' O ' ' CD1' ' B' ' 31' ' ' ILE . 0.0 OUTLIER -70.82 -53.51 21.64 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.655 179.904 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.41 ' N ' ' CG2' ' A' ' 10' ' ' ILE . 0.4 OUTLIER -61.9 -24.74 67.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.99 -179.917 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.528 ' CD2' ' CE1' ' A' ' 13' ' ' HIS . 0.1 OUTLIER -75.11 -46.65 33.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.401 -179.87 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.528 ' CE1' ' CD2' ' A' ' 12' ' ' HIS . 12.6 m-70 -62.33 -27.73 69.25 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.753 0.311 . . . . 0.0 110.383 179.534 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.454 ' N ' HD12 ' B' ' 31' ' ' ILE . . . -68.72 -55.42 11.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.256 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -62.38 -19.15 63.11 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.215 178.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.482 ' HB3' ' CE1' ' B' ' 27' ' ' HIS . 6.4 mm-40 -79.32 -37.83 36.66 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.428 HG13 ' N ' ' A' ' 18' ' ' GLU . 1.1 pp -73.54 -34.67 42.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 120.88 0.371 . . . . 0.0 111.076 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.428 ' N ' HG13 ' A' ' 17' ' ' ILE . 1.7 tt0 -76.77 -36.01 57.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.661 179.737 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 30.7 ttm180 -72.66 -32.57 65.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.631 179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.419 ' CD1' ' O ' ' A' ' 16' ' ' GLU . 15.2 mt -70.74 -40.62 72.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.292 179.621 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.51 -42.36 99.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.66 179.6 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.6 mtmt -63.66 -36.29 83.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.63 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -66.18 -39.38 89.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.026 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.425 HG13 ' N ' ' A' ' 25' ' ' GLU . 0.5 OUTLIER -62.11 -40.16 86.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.054 0.454 . . . . 0.0 110.073 179.81 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.425 ' N ' HG13 ' A' ' 24' ' ' ILE . 13.4 tt0 -61.26 -41.78 97.51 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.387 179.549 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -55.67 -43.9 76.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.037 179.41 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.491 ' CE1' ' CB ' ' B' ' 16' ' ' GLU . 0.2 OUTLIER -65.91 -30.22 70.78 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.56 179.061 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.449 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 1.8 tmmt? -67.75 -25.72 65.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.81 179.71 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -78.84 -38.31 38.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.709 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.9 p -72.56 -31.34 65.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.396 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.455 HD12 ' N ' ' B' ' 14' ' ' ALA . 3.8 tp -82.4 -28.71 8.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.718 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -81.38 -26.42 35.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.62 179.719 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.2 ttpt -82.46 -37.33 25.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.591 179.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.416 ' CD2' HD13 ' B' ' 10' ' ' ILE . 0.4 OUTLIER -77.7 -27.93 50.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.698 179.725 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.76 -33.37 30.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.673 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.0 tm0? -78.13 -27.63 48.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.749 179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.6 t -77.49 -25.79 50.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.828 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -74.05 -28.8 61.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.826 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -73.75 -25.58 60.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -173.37 158.24 3.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.932 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.949 179.965 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.815 0.341 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.3 mp -63.58 -175.62 0.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.83 71.1 0.92 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.899 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -84.69 -39.34 18.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 16.8 p-80 -50.99 -32.31 20.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.78 -55.76 20.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -51.53 -24.66 5.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.845 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -71.59 -59.08 2.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.299 179.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.93 -21.95 23.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.323 179.078 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.43 ' O ' ' CD1' ' A' ' 31' ' ' ILE . 0.0 OUTLIER -70.76 -53.8 20.59 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.622 179.916 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' SER . . . . . 0.405 ' N ' ' CG2' ' B' ' 10' ' ' ILE . 0.4 OUTLIER -61.7 -24.58 66.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.976 -179.907 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.534 ' CD2' ' CE1' ' B' ' 13' ' ' HIS . 0.1 OUTLIER -75.23 -46.72 32.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.425 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . 0.534 ' CE1' ' CD2' ' B' ' 12' ' ' HIS . 12.7 m-70 -62.28 -27.83 69.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.711 0.291 . . . . 0.0 110.302 179.575 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . 0.455 ' N ' HD12 ' A' ' 31' ' ' ILE . . . -68.57 -55.58 11.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.236 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -62.35 -19.2 63.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.177 178.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.491 ' CB ' ' CE1' ' A' ' 27' ' ' HIS . 6.4 mm-40 -79.27 -37.64 37.4 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.122 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.433 ' CG2' HG22 ' A' ' 31' ' ' ILE . 1.1 pp -73.68 -34.72 42.05 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 CA-C-O 120.855 0.359 . . . . 0.0 110.984 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.424 ' N ' HG13 ' B' ' 17' ' ' ILE . 1.6 tt0 -76.7 -36.02 57.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.728 179.746 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 30.8 ttm180 -72.74 -32.56 65.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.587 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.418 ' CD1' ' O ' ' B' ' 16' ' ' GLU . 15.5 mt -70.79 -40.54 72.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.281 179.654 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.63 -42.31 99.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.595 179.684 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 14.6 mtmt -63.52 -36.46 83.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.645 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -66.08 -39.45 90.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.002 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . 0.429 HG13 ' N ' ' B' ' 25' ' ' GLU . 0.5 OUTLIER -62.25 -40.01 86.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.034 0.445 . . . . 0.0 110.101 179.86 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . 0.429 ' N ' HG13 ' B' ' 24' ' ' ILE . 13.5 tt0 -61.39 -41.56 97.32 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.409 179.497 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -55.92 -43.74 77.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.016 179.349 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . 0.482 ' CE1' ' HB3' ' A' ' 16' ' ' GLU . 0.2 OUTLIER -66.18 -29.73 70.07 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.717 179.038 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.455 ' HA ' ' CG2' ' B' ' 31' ' ' ILE . 1.8 tmmt? -68.43 -25.5 65.05 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.699 179.628 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -78.93 -38.45 37.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.717 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 1.9 p -72.36 -31.72 65.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.245 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . 0.455 ' CG2' ' HA ' ' B' ' 28' ' ' LYS . 4.0 tp -81.95 -28.94 9.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.672 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -81.09 -26.42 36.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.597 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 7.1 ttpt -82.53 -37.06 25.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.633 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.418 ' CD2' HD13 ' A' ' 10' ' ' ILE . 0.4 OUTLIER -77.98 -27.7 49.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.649 179.748 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.87 -33.34 30.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.707 179.792 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 6.0 tm0? -78.23 -27.74 47.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.653 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 8.6 t -77.36 -25.91 51.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -74.04 -28.82 61.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.832 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -73.64 -25.62 60.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.929 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -173.36 158.25 3.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.918 -179.959 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.74 0.305 . . . . 0.0 111.059 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -179.14 145.65 0.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.871 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 68.74 98.7 0.06 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 18.5 mttt -114.15 24.12 12.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.006 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -78.41 -38.85 40.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.671 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -61.29 -55.03 36.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.439 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.48 -23.96 7.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.712 179.418 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -69.28 -61.14 1.91 Allowed 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.546 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.475 ' O ' ' CD2' ' A' ' 13' ' ' HIS . 4.9 mt-10 -69.83 -9.28 54.16 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.824 178.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.427 ' O ' ' CD1' ' B' ' 31' ' ' ILE . 74.4 mt -90.26 -27.37 5.11 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.045 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.8 p -80.18 -30.58 38.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.742 178.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.533 ' CD2' ' ND1' ' A' ' 13' ' ' HIS . 0.5 OUTLIER -77.8 -49.46 14.28 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.718 179.257 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.533 ' ND1' ' CD2' ' A' ' 12' ' ' HIS . 16.3 m-70 -66.33 -25.88 67.04 Favored 'General case' 0 CA--C 1.522 -0.117 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.016 178.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.442 ' N ' HD12 ' B' ' 31' ' ' ILE . . . -68.1 -47.56 67.87 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.236 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.424 ' O ' ' CB ' ' A' ' 19' ' ' ARG . 1.8 tttp -71.1 -17.44 62.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.684 179.129 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.416 ' O ' ' CG ' ' A' ' 20' ' ' LEU . 9.8 mm-40 -83.34 -34.34 25.68 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.387 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.42 HG13 ' CB ' ' B' ' 28' ' ' LYS . 0.0 OUTLIER -80.67 -31.18 12.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-O 120.946 0.403 . . . . 0.0 110.526 179.789 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.401 ' N ' HG21 ' A' ' 17' ' ' ILE . 6.3 tt0 -82.0 -36.41 27.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.304 179.316 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.424 ' CB ' ' O ' ' A' ' 15' ' ' LYS . 2.2 tpm_? -76.07 -31.79 58.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.333 179.463 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.416 ' CG ' ' O ' ' A' ' 16' ' ' GLU . 18.8 mt -72.61 -39.89 66.94 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.995 179.4 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.84 -42.62 99.81 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.702 179.655 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.01 -38.23 90.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.747 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.31 -39.41 93.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.175 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.42 HG13 ' N ' ' A' ' 25' ' ' GLU . 0.5 OUTLIER -63.87 -39.08 84.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.066 0.46 . . . . 0.0 110.24 179.935 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.42 ' N ' HG13 ' A' ' 24' ' ' ILE . 3.5 mt-10 -59.94 -43.97 94.64 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.504 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -56.04 -49.99 72.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.981 0.419 . . . . 0.0 110.262 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -65.16 -23.7 67.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.624 179.469 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.45 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 0.7 OUTLIER -77.98 -25.38 48.05 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.94 179.904 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -77.9 -39.52 42.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.615 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.6 p -71.04 -37.86 72.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.907 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.45 ' CG2' ' HA ' ' A' ' 28' ' ' LYS . 5.2 tp -75.6 -28.34 19.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.999 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.2 ttpt -76.44 -28.76 56.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.72 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.15 -36.88 47.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.685 179.792 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.7 mt -73.31 -31.32 63.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.8 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.79 -37.15 59.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.83 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.7 tm0? -72.54 -29.6 63.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.803 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.55 -28.98 63.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.859 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -70.11 -25.5 63.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -114.73 25.36 11.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.929 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -106.74 -64.84 1.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.296 -0.859 . . . . 0.0 110.895 179.977 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.904 0.383 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -179.13 145.63 0.27 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 68.73 98.65 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 18.5 mttt -114.09 24.19 12.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.047 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -78.48 -38.78 40.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.763 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -61.21 -55.09 36.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.496 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.41 -24.14 7.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.627 179.426 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -69.1 -61.23 1.88 Allowed 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.927 0.394 . . . . 0.0 110.585 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.472 ' O ' ' CD2' ' B' ' 13' ' ' HIS . 4.9 mt-10 -69.77 -9.37 54.31 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.812 178.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.431 ' O ' ' CD1' ' A' ' 31' ' ' ILE . 73.9 mt -90.29 -27.37 5.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 CA-C-N 116.213 -0.449 . . . . 0.0 109.977 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 11.0 p -80.15 -30.63 38.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.7 178.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.525 ' CD2' ' ND1' ' B' ' 13' ' ' HIS . 0.5 OUTLIER -77.77 -49.37 14.5 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.739 179.265 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . 0.525 ' ND1' ' CD2' ' B' ' 12' ' ' HIS . 16.4 m-70 -66.48 -25.72 66.85 Favored 'General case' 0 N--CA 1.457 -0.089 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.02 178.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . 0.44 ' N ' HD12 ' A' ' 31' ' ' ILE . . . -68.14 -47.63 67.57 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 120.987 0.422 . . . . 0.0 110.265 179.77 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . 0.424 ' O ' ' CB ' ' B' ' 19' ' ' ARG . 1.8 tttp -71.09 -17.4 62.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.687 179.117 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.415 ' O ' ' CG ' ' B' ' 20' ' ' LEU . 9.8 mm-40 -83.35 -34.32 25.66 Favored 'General case' 0 CA--C 1.527 0.089 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.464 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.418 HG13 ' CB ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -80.62 -31.15 12.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.912 0.387 . . . . 0.0 110.581 179.675 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -82.04 -36.36 27.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.3 179.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . 0.424 ' CB ' ' O ' ' B' ' 15' ' ' LYS . 2.2 tpm_? -76.21 -31.69 58.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.304 179.51 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.418 ' O ' ' CG2' ' B' ' 24' ' ' ILE . 18.9 mt -72.61 -39.84 66.96 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.052 179.315 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.85 -42.72 99.86 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.623 179.626 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.04 -38.15 90.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.677 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.33 -39.36 93.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.125 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . 0.425 HG13 ' N ' ' B' ' 25' ' ' GLU . 0.5 OUTLIER -64.04 -39.0 83.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.976 0.417 . . . . 0.0 110.195 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . 0.425 ' N ' HG13 ' B' ' 24' ' ' ILE . 3.5 mt-10 -59.91 -43.9 94.58 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.617 179.759 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 26.6 ttm180 -56.11 -49.96 72.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.311 179.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -65.06 -23.76 67.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.626 179.382 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.454 ' HA ' ' CG2' ' B' ' 31' ' ' ILE . 0.7 OUTLIER -78.02 -25.39 47.88 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -77.8 -39.73 42.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.586 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 11.7 p -70.83 -37.89 73.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.945 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . 0.454 ' CG2' ' HA ' ' B' ' 28' ' ' LYS . 5.1 tp -75.68 -28.25 19.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.948 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 3.2 ttpt -76.54 -28.73 56.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.626 179.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.21 -36.76 46.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.688 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.7 mt -73.35 -31.37 63.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.806 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.67 -37.19 59.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 6.7 tm0? -72.6 -29.43 63.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.809 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.62 -28.98 63.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -70.1 -25.54 63.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -114.72 25.43 10.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.91 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -106.82 -64.79 1.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.895 179.976 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.92 0.391 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 173.65 114.85 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.813 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.29 158.82 25.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.951 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.0 mmmt -96.85 -51.41 4.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.969 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -51.22 -40.92 59.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.609 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.457 ' CE1' ' CD2' ' B' ' 34' ' ' LEU . 0.0 OUTLIER -62.71 -55.42 26.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.403 179.702 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.4 ' HA ' ' HB ' ' A' ' 10' ' ' ILE . 1.3 tt0 -53.07 -23.38 7.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.572 -0.286 . . . . 0.0 110.587 179.308 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -69.28 -61.43 1.79 Allowed 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.553 179.756 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.477 ' O ' ' CD2' ' A' ' 13' ' ' HIS . 39.9 mt-10 -68.99 -10.72 58.91 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 120.9 0.381 . . . . 0.0 110.765 178.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.421 ' CG1' ' HB3' ' B' ' 34' ' ' LEU . 51.5 mt -87.98 -28.91 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.13 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.1 -30.26 43.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.811 179.008 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.53 ' CD2' ' ND1' ' A' ' 13' ' ' HIS . 0.3 OUTLIER -76.08 -48.39 20.97 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.824 179.332 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.53 ' ND1' ' CD2' ' A' ' 12' ' ' HIS . 17.5 m-70 -65.56 -27.7 68.62 Favored 'General case' 0 CA--C 1.522 -0.134 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 178.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.438 ' N ' HG13 ' B' ' 31' ' ' ILE . . . -65.22 -47.98 74.93 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.135 179.525 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -64.49 -25.08 67.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.201 179.119 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.466 ' HB3' ' CE1' ' B' ' 27' ' ' HIS . 0.1 OUTLIER -75.22 -36.04 61.4 Favored 'General case' 0 C--N 1.334 -0.095 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.101 179.878 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.433 ' CD1' ' HB2' ' B' ' 28' ' ' LYS . 2.4 tt -78.17 -24.78 13.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.748 0.309 . . . . 0.0 110.709 179.782 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -81.46 -35.61 30.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.956 0.407 . . . . 0.0 110.544 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 24.1 ttt-85 -74.11 -39.75 63.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.214 179.477 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.474 ' CD1' ' CD1' ' B' ' 20' ' ' LEU . 0.0 OUTLIER -67.41 -39.77 85.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.12 179.474 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -63.93 -37.34 87.04 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.603 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.43 -44.75 96.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.582 179.77 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -58.52 -45.88 87.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.973 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.441 ' CG2' ' HB3' ' B' ' 20' ' ' LEU . 0.6 OUTLIER -60.99 -35.45 65.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.092 0.472 . . . . 0.0 110.056 179.831 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.419 ' N ' HG13 ' A' ' 24' ' ' ILE . 1.5 tt0 -58.97 -43.06 91.27 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.452 179.638 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.3 ttt85 -58.45 -50.57 73.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.132 179.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.464 ' CE1' ' HB3' ' B' ' 16' ' ' GLU . 1.3 m-70 -62.23 -23.75 66.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.504 179.257 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.433 ' HB2' ' CD1' ' B' ' 17' ' ' ILE . 11.8 ttpt -78.75 -27.9 44.8 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.783 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -73.61 -38.2 65.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.631 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 59.7 p -71.31 -43.57 66.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.878 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.44 HG13 ' N ' ' B' ' 14' ' ' ALA . 0.0 OUTLIER -74.55 -24.16 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.315 -179.828 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.423 ' NZ ' ' HE3' ' A' ' 28' ' ' LYS . 23.5 ttmt -82.36 -26.18 33.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.426 179.446 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.49 -41.4 55.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.443 179.621 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.457 ' CD2' ' CE1' ' B' ' 6' ' ' HIS . 17.1 mt -73.22 -36.94 66.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.76 179.771 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -76.48 -26.4 55.31 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.793 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.416 ' O ' ' N ' ' A' ' 40' ' ' ASP . 5.8 mm-40 -77.69 -30.93 52.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.687 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 73.6 m -69.48 -30.53 68.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.746 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.96 -33.95 76.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.784 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -147.12 52.38 1.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.895 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' A' ' 36' ' ' GLN . 13.5 t0 -49.99 140.1 12.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.3 t70 . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.317 -0.849 . . . . 0.0 110.884 179.987 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 120.845 0.355 . . . . 0.0 111.061 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 173.78 115.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.782 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.34 158.87 25.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 5.0 mmmt -96.89 -51.46 4.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -51.22 -40.91 59.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.623 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . 0.457 ' CE1' ' CD2' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -62.7 -55.36 27.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.399 179.717 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -53.08 -23.39 7.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.608 179.296 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -69.28 -61.43 1.79 Allowed 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.607 179.745 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.471 ' O ' ' CD2' ' B' ' 13' ' ' HIS . 40.1 mt-10 -69.04 -10.68 58.76 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 120.931 0.396 . . . . 0.0 110.736 178.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.432 ' CG1' ' HB3' ' A' ' 34' ' ' LEU . 51.5 mt -88.03 -28.95 5.43 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.085 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.08 -30.21 43.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.819 179.011 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.529 ' CD2' ' CE1' ' B' ' 13' ' ' HIS . 0.3 OUTLIER -76.06 -48.4 20.99 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.725 -0.671 . . . . 0.0 109.814 179.365 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . 0.529 ' CE1' ' CD2' ' B' ' 12' ' ' HIS . 17.3 m-70 -65.47 -27.97 68.88 Favored 'General case' 0 CA--C 1.521 -0.15 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 178.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . 0.44 ' N ' HG13 ' A' ' 31' ' ' ILE . . . -64.91 -48.22 74.94 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.161 179.51 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -64.32 -25.1 67.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.303 179.11 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.464 ' HB3' ' CE1' ' A' ' 27' ' ' HIS . 0.1 OUTLIER -75.24 -36.04 61.35 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.15 179.826 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.433 ' CD1' ' HB2' ' A' ' 28' ' ' LYS . 2.4 tt -78.25 -24.82 13.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.759 0.314 . . . . 0.0 110.652 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -81.31 -35.74 30.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.481 179.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 24.5 ttt-85 -74.06 -39.72 63.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.206 179.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.474 ' CD1' ' CD1' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -67.42 -39.56 85.47 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.25 179.465 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -64.12 -37.3 86.97 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.509 179.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.36 -44.8 96.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.633 179.723 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -58.63 -45.96 88.1 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.974 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . 0.427 ' CG2' ' HB3' ' A' ' 20' ' ' LEU . 0.6 OUTLIER -60.71 -35.79 66.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.072 0.463 . . . . 0.0 110.055 179.872 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . 0.427 ' N ' HG13 ' B' ' 24' ' ' ILE . 1.5 tt0 -58.62 -43.55 89.69 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.4 179.67 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 6.3 ttt85 -57.8 -50.54 72.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.084 179.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . 0.466 ' CE1' ' HB3' ' A' ' 16' ' ' GLU . 1.4 m-70 -62.52 -23.52 67.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.472 179.366 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.433 ' HB2' ' CD1' ' A' ' 17' ' ' ILE . 11.7 ttpt -78.89 -27.32 43.91 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -74.33 -38.12 63.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.557 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 59.8 p -71.43 -43.58 66.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.881 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . 0.438 HG13 ' N ' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -74.87 -24.21 17.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.198 -179.927 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 14.7 ttpt -81.73 -26.89 34.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.313 179.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.31 -41.68 56.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.689 179.67 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.457 ' CD2' ' CE1' ' A' ' 6' ' ' HIS . 17.1 mt -72.81 -36.85 67.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.729 179.771 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -76.4 -26.76 55.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.805 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . 0.411 ' O ' ' N ' ' B' ' 40' ' ' ASP . 5.8 mm-40 -77.47 -30.71 53.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.662 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 73.6 m -69.67 -30.35 68.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.781 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.18 -33.75 76.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.77 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -147.25 52.15 1.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' B' ' 36' ' ' GLN . 13.5 t0 -49.83 139.95 12.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.96 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 1.3 t70 . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.939 179.992 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.836 0.35 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.421 ' CD2' ' OE2' ' B' ' 38' ' ' GLU . 0.5 OUTLIER -146.67 125.44 12.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.935 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.408 ' CD ' ' N ' ' A' ' 3' ' ' LYS . 0.7 OUTLIER -75.05 160.43 30.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.0 mtpt -114.1 -47.94 2.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -50.56 -32.25 18.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.939 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.505 ' CE1' ' CD2' ' B' ' 34' ' ' LEU . 0.1 OUTLIER -62.34 -57.15 12.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.429 179.834 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -51.09 -24.69 4.19 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.696 179.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.43 -60.98 2.04 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.538 179.758 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.463 ' O ' ' CD2' ' A' ' 13' ' ' HIS . 38.4 mt-10 -69.49 -9.67 54.79 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.809 179.034 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.419 ' O ' ' CD1' ' B' ' 31' ' ' ILE . 74.7 mt -89.9 -27.33 5.18 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 CA-C-N 116.222 -0.444 . . . . 0.0 109.993 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 17.8 m -79.97 -30.81 39.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.081 -0.508 . . . . 0.0 109.702 178.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.527 ' CD2' ' ND1' ' A' ' 13' ' ' HIS . 0.3 OUTLIER -77.24 -49.66 14.6 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.725 -0.671 . . . . 0.0 109.718 179.241 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.527 ' ND1' ' CD2' ' A' ' 12' ' ' HIS . 15.9 m-70 -65.29 -26.74 68.2 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.046 178.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.445 ' N ' HD12 ' B' ' 31' ' ' ILE . . . -67.27 -48.19 68.44 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.187 179.772 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.415 ' O ' ' CG ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -68.95 -18.41 64.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.538 179.094 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.499 ' CB ' ' CE1' ' B' ' 27' ' ' HIS . 21.0 mm-40 -80.44 -38.61 29.75 Favored 'General case' 0 C--O 1.231 0.084 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.499 -179.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.431 HG13 ' CB ' ' B' ' 28' ' ' LYS . 0.0 OUTLIER -78.14 -29.71 15.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.919 0.39 . . . . 0.0 110.763 179.871 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -81.08 -35.26 31.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.529 179.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.415 ' CG ' ' O ' ' A' ' 15' ' ' LYS . 71.5 mtp180 -74.55 -34.57 62.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.509 179.583 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.422 ' CD1' ' O ' ' A' ' 16' ' ' GLU . 23.0 mt -71.03 -40.55 71.66 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.083 179.457 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.94 -40.6 96.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.758 179.729 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -42.72 99.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.725 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.66 -39.98 93.29 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.092 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.42 HG13 ' N ' ' A' ' 25' ' ' GLU . 0.6 OUTLIER -63.63 -36.56 76.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.982 0.42 . . . . 0.0 110.077 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.42 ' N ' HG13 ' A' ' 24' ' ' ILE . 54.0 tt0 -60.88 -44.13 97.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.477 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 31.4 ttt-85 -56.42 -50.69 70.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.202 179.502 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.49 ' CE1' ' CB ' ' B' ' 16' ' ' GLU . 0.2 OUTLIER -63.8 -24.32 67.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.487 179.359 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.448 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 6.3 ttmt -78.36 -24.69 46.31 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -76.83 -39.99 49.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.506 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.2 m -70.35 -40.93 73.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.737 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.448 ' CG2' ' HA ' ' A' ' 28' ' ' LYS . 4.1 tp -75.92 -27.67 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.983 0.42 . . . . 0.0 110.885 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.4 ttmm -79.12 -26.26 42.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.715 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.9 ttpp -78.73 -38.71 38.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.673 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.508 ' CD2' ' CE1' ' B' ' 6' ' ' HIS . 0.2 OUTLIER -74.01 -32.92 63.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.759 179.914 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -76.85 -32.44 57.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.796 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -75.23 -30.02 60.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.819 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 69.8 m -72.72 -26.35 61.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.81 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.414 ' OE2' ' CD2' ' B' ' 2' ' ' LEU . 0.0 OUTLIER -70.94 -27.81 64.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.47 -41.82 54.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.916 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -166.13 143.41 5.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.834 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.156 -0.926 . . . . 0.0 110.879 -179.998 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.81 0.338 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . 0.414 ' CD2' ' OE2' ' A' ' 38' ' ' GLU . 0.5 OUTLIER -146.68 125.56 12.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.853 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . 0.405 ' CD ' ' N ' ' B' ' 3' ' ' LYS . 0.7 OUTLIER -75.07 160.42 30.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 179.935 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 11.9 mtpt -114.12 -47.91 2.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.866 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -50.59 -32.3 18.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.929 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . 0.508 ' CE1' ' CD2' ' A' ' 34' ' ' LEU . 0.1 OUTLIER -62.24 -57.15 12.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.474 179.792 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -51.15 -24.61 4.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.735 179.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.51 -60.98 2.04 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.525 179.704 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.478 ' O ' ' CD2' ' B' ' 13' ' ' HIS . 38.4 mt-10 -69.4 -9.74 54.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.812 179.024 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.428 ' O ' ' CD1' ' A' ' 31' ' ' ILE . 74.6 mt -89.91 -27.34 5.18 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.995 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 17.8 m -79.94 -30.75 39.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.732 178.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.526 ' CD2' ' ND1' ' B' ' 13' ' ' HIS . 0.3 OUTLIER -77.26 -49.68 14.53 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.699 179.272 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . 0.526 ' ND1' ' CD2' ' B' ' 12' ' ' HIS . 15.9 m-70 -65.29 -26.79 68.22 Favored 'General case' 0 N--CA 1.457 -0.109 0 C-N-CA 120.714 -0.394 . . . . 0.0 109.998 178.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . 0.445 ' N ' HD12 ' A' ' 31' ' ' ILE . . . -67.18 -48.22 68.6 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.058 0.456 . . . . 0.0 110.254 179.768 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . 0.424 ' O ' ' CG ' ' B' ' 19' ' ' ARG . 0.0 OUTLIER -68.94 -18.38 64.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.577 179.066 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.49 ' CB ' ' CE1' ' A' ' 27' ' ' HIS . 20.9 mm-40 -80.51 -38.63 29.42 Favored 'General case' 0 N--CA 1.458 -0.068 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.505 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.415 HG13 ' CB ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -78.17 -29.58 15.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.758 0.313 . . . . 0.0 110.7 179.856 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -81.09 -35.34 31.82 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.508 179.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . 0.424 ' CG ' ' O ' ' B' ' 15' ' ' LYS . 71.5 mtp180 -74.55 -34.55 62.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.475 179.633 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.424 ' O ' ' CG2' ' B' ' 24' ' ' ILE . 23.0 mt -71.06 -40.5 71.62 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.157 179.412 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.98 -40.65 96.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.713 179.707 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -42.74 99.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.697 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.56 -39.97 93.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.118 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . 0.427 HG13 ' N ' ' B' ' 25' ' ' GLU . 0.6 OUTLIER -63.73 -36.48 76.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.023 0.44 . . . . 0.0 110.135 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . 0.427 ' N ' HG13 ' B' ' 24' ' ' ILE . 53.9 tt0 -60.9 -44.09 97.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.525 179.729 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 31.2 ttt-85 -56.44 -50.7 70.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.169 179.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . 0.499 ' CE1' ' CB ' ' A' ' 16' ' ' GLU . 0.2 OUTLIER -63.89 -24.21 67.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.443 179.419 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.448 ' HA ' ' CG2' ' B' ' 31' ' ' ILE . 6.3 ttmt -78.38 -24.68 46.25 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -76.88 -39.99 49.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.48 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 2.2 m -70.35 -40.9 73.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.738 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . 0.448 ' CG2' ' HA ' ' B' ' 28' ' ' LYS . 4.1 tp -76.0 -27.63 18.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.839 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 2.4 ttmm -79.13 -26.27 42.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.661 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 9.9 ttpp -78.73 -38.71 38.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.731 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.505 ' CD2' ' CE1' ' A' ' 6' ' ' HIS . 0.2 OUTLIER -73.95 -32.92 63.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.823 179.847 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -76.87 -32.41 57.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.856 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -75.15 -30.11 60.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 70.0 m -72.68 -26.4 61.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.81 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . 0.421 ' OE2' ' CD2' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -70.94 -27.77 64.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.828 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.51 -41.8 54.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.935 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -166.17 143.36 5.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.205 -0.902 . . . . 0.0 110.904 179.996 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.42 0 CA-C-O 120.816 0.341 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.8 tt -63.64 -25.45 68.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.956 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.4 ' HD2' ' NE2' ' A' ' 5' ' ' HIS . 36.1 mmtt -89.71 47.4 1.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.943 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.55 -35.34 77.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.825 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.4 ' NE2' ' HD2' ' A' ' 3' ' ' LYS . 2.5 p-80 -53.87 -25.09 18.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -59.49 -46.49 88.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -58.61 -25.85 63.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.722 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -73.28 -57.6 3.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.181 179.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.52 -20.87 34.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.336 179.008 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.423 HD13 ' CD2' ' B' ' 34' ' ' LEU . 0.0 OUTLIER -73.21 -54.77 14.71 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.478 179.929 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.412 ' N ' ' CG2' ' A' ' 10' ' ' ILE . 0.5 OUTLIER -62.16 -25.75 67.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.687 179.924 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.513 ' CD2' ' ND1' ' A' ' 13' ' ' HIS . 0.2 OUTLIER -73.03 -48.3 37.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.328 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.513 ' ND1' ' CD2' ' A' ' 12' ' ' HIS . 12.6 m-70 -59.79 -30.86 69.18 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.231 179.53 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.449 ' N ' HD12 ' B' ' 31' ' ' ILE . . . -64.63 -55.71 18.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.444 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.407 ' O ' ' CB ' ' A' ' 19' ' ' ARG . 0.8 OUTLIER -63.93 -15.49 59.26 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.423 178.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.518 ' CB ' ' CE1' ' B' ' 27' ' ' HIS . 5.1 mm-40 -84.05 -33.23 24.49 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.978 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.431 ' CG2' ' O ' ' A' ' 13' ' ' HIS . 1.0 OUTLIER -76.7 -37.37 28.66 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 CA-C-O 120.954 0.407 . . . . 0.0 110.429 179.821 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -77.81 -38.78 45.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.447 179.371 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.407 ' CB ' ' O ' ' A' ' 15' ' ' LYS . 7.1 ttt180 -73.43 -27.39 61.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.34 179.529 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.491 ' CD1' ' CD2' ' B' ' 27' ' ' HIS . 9.5 mt -71.44 -42.9 67.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.024 179.333 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -61.1 -46.85 88.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.785 179.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.4 ttpp -62.4 -33.24 74.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.679 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -68.46 -36.49 79.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.96 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.423 HG13 ' N ' ' A' ' 25' ' ' GLU . 0.5 OUTLIER -65.14 -41.12 90.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.003 0.43 . . . . 0.0 110.15 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.423 ' N ' HG13 ' A' ' 24' ' ' ILE . 15.2 tt0 -61.1 -42.02 97.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.325 179.607 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.1 tpt85 -58.52 -39.76 81.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.263 179.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.518 ' CE1' ' CB ' ' B' ' 16' ' ' GLU . 0.2 OUTLIER -67.97 -27.75 66.85 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.94 179.352 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.451 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 1.2 ttmt -72.0 -32.59 67.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.689 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -69.69 -41.88 74.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.673 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.3 t -67.98 -42.34 80.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.106 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.459 HD12 ' N ' ' B' ' 14' ' ' ALA . 5.6 tp -71.57 -24.83 23.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.169 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -78.59 -35.54 45.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.925 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.0 tttp -79.86 -27.38 40.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.729 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.421 ' CD2' HD13 ' B' ' 10' ' ' ILE . 0.5 OUTLIER -81.49 -28.89 33.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.667 179.892 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.4 mmtp -80.17 -34.84 37.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.686 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.1 tm0? -78.17 -31.45 49.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.685 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.9 m -77.32 -27.57 52.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.772 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.29 -25.73 58.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.78 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -72.72 -25.97 61.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.865 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 70.31 136.86 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 31.8 t0 . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.856 179.997 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.799 0.333 . . . . 0.0 111.079 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 7.8 tt -63.72 -25.4 68.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 36.1 mmtt -89.83 47.34 1.45 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.952 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.48 -35.44 77.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.85 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 -53.8 -24.93 16.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.883 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -59.64 -46.29 89.44 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -58.78 -25.79 63.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.689 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -73.43 -57.7 3.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.168 179.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.2 -21.14 31.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.343 178.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.432 ' O ' ' CD1' ' A' ' 31' ' ' ILE . 0.0 OUTLIER -72.88 -55.58 12.42 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.48 179.874 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' SER . . . . . 0.412 ' N ' ' CG2' ' B' ' 10' ' ' ILE . 0.5 OUTLIER -61.33 -25.57 67.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.665 179.937 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.513 ' CD2' ' ND1' ' B' ' 13' ' ' HIS . 0.2 OUTLIER -73.28 -48.24 36.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.314 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . 0.513 ' ND1' ' CD2' ' B' ' 12' ' ' HIS . 13.2 m-70 -59.98 -30.27 69.01 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.268 179.556 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . 0.459 ' N ' HD12 ' A' ' 31' ' ' ILE . . . -65.24 -55.91 15.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.369 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.59 -15.85 59.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.389 179.02 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.518 ' CB ' ' CE1' ' A' ' 27' ' ' HIS . 5.1 mm-40 -83.58 -33.69 25.34 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.962 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.436 ' CG2' HG23 ' A' ' 31' ' ' ILE . 1.0 OUTLIER -76.07 -37.6 33.56 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 CA-C-O 120.948 0.404 . . . . 0.0 110.524 179.748 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -77.28 -38.89 49.87 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.446 179.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 -73.49 -27.07 61.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.364 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.499 ' CD1' ' CD2' ' A' ' 27' ' ' HIS . 9.9 mt -72.27 -41.61 66.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.242 179.409 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -62.65 -46.16 89.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.549 179.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 1.4 ttpp -63.16 -33.34 75.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.0 0.429 . . . . 0.0 110.704 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -68.23 -36.94 80.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.99 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . 0.424 HG13 ' N ' ' B' ' 25' ' ' GLU . 0.5 OUTLIER -64.81 -41.18 91.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.978 0.418 . . . . 0.0 110.199 179.881 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . 0.424 ' N ' HG13 ' B' ' 24' ' ' ILE . 15.2 tt0 -60.9 -41.82 96.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.332 179.585 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 5.2 tpt85 -58.99 -39.3 81.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.229 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . 0.518 ' CE1' ' CB ' ' A' ' 16' ' ' GLU . 0.2 OUTLIER -68.48 -26.97 65.74 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.056 179.356 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.461 ' HA ' ' CG2' ' B' ' 31' ' ' ILE . 1.3 ttmt -73.17 -32.27 64.75 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.578 179.644 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -69.82 -42.0 74.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.728 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 12.4 t -67.97 -42.54 80.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.984 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . 0.461 ' CG2' ' HA ' ' B' ' 28' ' ' LYS . 5.8 tp -71.2 -24.85 24.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.165 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -78.61 -35.57 45.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 5.1 tttp -79.62 -27.49 40.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.695 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.423 ' CD2' HD13 ' A' ' 10' ' ' ILE . 0.5 OUTLIER -81.21 -29.13 34.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.69 179.863 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 7.4 mmtp -80.06 -34.66 37.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.693 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 7.1 tm0? -78.5 -31.08 47.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.698 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 2.9 m -77.72 -27.53 50.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.754 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.36 -25.56 57.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.808 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -72.81 -26.01 61.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.87 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 70.16 136.98 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 32.2 t0 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.184 -0.912 . . . . 0.0 110.881 -179.993 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.785 0.326 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.408 ' O ' ' N ' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -90.18 -88.27 0.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.364 -179.661 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.4 tptt -43.23 93.99 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.795 0.331 . . . . 0.0 111.54 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -100.79 19.67 16.71 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.327 179.934 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -100.55 -32.33 10.83 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.912 0.387 . . . . 0.0 110.459 179.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -73.75 -39.04 64.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.963 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -68.69 -32.89 73.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.779 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -68.83 -43.75 74.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.331 179.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -60.97 -46.35 91.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.732 179.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.485 ' HA ' ' CD2' ' A' ' 13' ' ' HIS . 19.3 pt -68.15 -27.06 35.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.239 179.419 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.3 -43.18 92.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.243 0.544 . . . . 0.0 109.565 178.666 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.461 ' CE1' ' HG3' ' A' ' 16' ' ' GLU . 0.2 OUTLIER -68.31 -39.26 82.09 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.58 179.091 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.485 ' CD2' ' HA ' ' A' ' 10' ' ' ILE . 12.1 m-70 -61.89 -26.0 67.9 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.442 179.284 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.42 ' N ' HD12 ' B' ' 31' ' ' ILE . . . -71.0 -54.19 12.11 Favored 'General case' 0 CA--C 1.517 -0.304 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 179.661 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.3 mtpp -69.45 -10.84 59.77 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.427 178.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.461 ' HG3' ' CE1' ' A' ' 12' ' ' HIS . 13.9 mm-40 -85.88 -37.74 18.81 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 116.576 -0.283 . . . . 0.0 111.115 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.437 ' CD1' ' HB2' ' B' ' 28' ' ' LYS . 3.4 tt -74.95 -33.08 28.68 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-O 120.925 0.393 . . . . 0.0 110.253 179.532 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -77.18 -40.89 43.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.653 179.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.415 ' NH1' ' OE1' ' A' ' 23' ' ' GLU . 16.1 ttp85 -73.65 -25.83 60.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.691 179.666 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.453 ' HB3' ' CG2' ' B' ' 24' ' ' ILE . 2.0 mm? -74.29 -39.43 62.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.143 179.485 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -63.47 -47.45 81.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.358 179.509 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.61 -30.91 71.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.523 179.672 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.415 ' OE1' ' NH1' ' A' ' 19' ' ' ARG . 0.2 OUTLIER -68.2 -37.37 80.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.911 179.838 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.456 ' CG2' ' HB3' ' B' ' 20' ' ' LEU . 0.5 OUTLIER -65.38 -41.79 92.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.044 0.45 . . . . 0.0 109.924 179.783 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.427 ' N ' HG13 ' A' ' 24' ' ' ILE . 0.6 OUTLIER -58.34 -44.03 88.52 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.622 179.665 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.51 -50.2 70.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.014 0.435 . . . . 0.0 110.174 179.543 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 45.8 m-70 -62.99 -25.4 68.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.363 179.337 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.44 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 15.2 ttpt -74.25 -27.74 60.9 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.97 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -76.92 -35.99 56.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.619 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.7 t -72.89 -40.61 65.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.901 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.448 ' CD1' ' O ' ' B' ' 10' ' ' ILE . 3.4 tp -74.89 -31.28 25.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.176 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.42 -23.61 34.77 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.943 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 43.8 tttt -84.34 -31.75 24.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.398 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.482 ' CB ' ' CG2' ' B' ' 10' ' ' ILE . 9.6 mt -86.78 -27.13 23.78 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 120.949 0.404 . . . . 0.0 110.341 179.689 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.421 ' CE ' ' O ' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -83.76 -29.15 27.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.393 179.417 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -86.09 -30.28 22.7 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.501 179.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 32.5 m -86.02 -25.17 26.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.714 179.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.41 ' CB ' ' O ' ' A' ' 34' ' ' LEU . 3.5 tm-20 -87.9 -24.43 23.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.694 179.783 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -88.49 -25.48 22.55 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.789 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -142.16 52.87 1.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.7 t0 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.324 -0.846 . . . . 0.0 110.912 179.98 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.81 0.338 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.81 -173.42 4.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.345 179.7 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 43.18 77.04 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.873 0.368 . . . . 0.0 111.46 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.6 23.19 5.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.992 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -101.79 -32.04 10.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.574 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -74.12 -39.95 62.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.951 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -68.32 -32.81 73.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.765 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -68.87 -43.78 74.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.35 179.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -61.02 -46.15 91.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.735 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.482 ' CG2' ' CB ' ' A' ' 34' ' ' LEU . 19.9 pt -68.29 -27.17 35.92 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.192 179.435 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.3 -43.09 92.63 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 178.692 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.461 ' CE1' ' HG3' ' B' ' 16' ' ' GLU . 0.2 OUTLIER -68.27 -39.36 82.19 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.518 179.099 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . 0.477 ' CD2' ' HA ' ' B' ' 10' ' ' ILE . 12.1 m-70 -61.88 -25.97 67.87 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.463 179.328 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . 0.412 ' N ' HD12 ' A' ' 31' ' ' ILE . . . -70.94 -54.12 12.49 Favored 'General case' 0 CA--C 1.517 -0.292 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 179.659 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 3.3 mtpp -69.63 -10.86 59.91 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.324 178.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.461 ' HG3' ' CE1' ' B' ' 12' ' ' HIS . 14.1 mm-40 -85.93 -37.6 18.9 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.167 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.432 ' CD1' ' HB2' ' A' ' 28' ' ' LYS . 3.5 tt -75.03 -33.13 28.38 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 CA-C-O 120.811 0.338 . . . . 0.0 110.211 179.516 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -77.14 -40.79 44.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.617 179.53 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . 0.417 ' NH1' ' OE1' ' B' ' 23' ' ' GLU . 16.5 ttp85 -73.82 -25.71 60.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.658 179.758 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.456 ' HB3' ' CG2' ' A' ' 24' ' ' ILE . 1.9 mm? -74.37 -39.38 62.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.139 179.454 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -63.5 -47.45 81.68 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.387 179.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.59 -30.9 71.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.496 179.673 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . 0.417 ' OE1' ' NH1' ' B' ' 19' ' ' ARG . 0.2 OUTLIER -68.29 -37.28 80.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.855 179.914 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . 0.453 ' CG2' ' HB3' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -65.39 -41.82 92.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.014 0.435 . . . . 0.0 109.964 179.72 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . 0.425 ' N ' HG13 ' B' ' 24' ' ' ILE . 0.6 OUTLIER -58.43 -43.97 88.96 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.531 179.754 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.58 -50.0 71.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.016 0.436 . . . . 0.0 110.217 179.554 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 45.3 m-70 -63.08 -25.55 68.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.294 179.334 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.437 ' HB2' ' CD1' ' A' ' 17' ' ' ILE . 15.1 ttpt -74.18 -27.97 61.07 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.916 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -76.72 -35.97 57.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.61 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 14.6 t -72.78 -40.71 65.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.902 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . 0.449 ' CD1' ' O ' ' A' ' 10' ' ' ILE . 3.4 tp -74.85 -31.01 24.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.298 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.73 -23.46 34.03 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.859 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 42.9 tttt -84.45 -31.53 24.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.342 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.478 ' CB ' ' CG2' ' A' ' 10' ' ' ILE . 9.7 mt -87.04 -27.26 23.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.905 0.384 . . . . 0.0 110.196 179.744 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . 0.409 ' CE ' ' O ' ' B' ' 35' ' ' LYS . 0.0 OUTLIER -83.64 -29.16 27.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.415 179.369 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -85.86 -30.83 22.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.564 179.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 60.2 m -85.42 -25.63 26.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.681 179.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . 0.419 ' CB ' ' O ' ' B' ' 34' ' ' LEU . 3.5 tm-20 -87.29 -24.71 24.24 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.813 179.787 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -88.37 -25.31 22.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.823 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -142.44 52.78 1.43 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 2.8 t0 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.879 -179.992 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.312 0 CA-C-O 120.857 0.361 . . . . 0.0 111.058 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 56.19 166.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.6 ttpt 52.04 99.86 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.9 ptpp? -106.55 22.61 15.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.158 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -91.66 -61.08 1.71 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.027 0.441 . . . . 0.0 110.448 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.424 ' HB2' ' CD2' ' B' ' 34' ' ' LEU . 3.8 p-80 -63.19 -33.32 75.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.349 179.646 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.37 -27.61 68.01 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.111 179.147 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -68.97 -59.76 2.83 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.866 179.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.438 ' CG ' ' NE2' ' A' ' 13' ' ' HIS . 3.2 tt0 -64.18 -18.02 64.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.214 178.748 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.5 HG22 HD11 ' A' ' 10' ' ' ILE . 5.7 mt -81.29 -29.79 11.01 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.261 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.881 179.711 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.5 t -73.74 -36.27 65.13 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.118 179.482 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.51 ' CD2' ' ND1' ' A' ' 13' ' ' HIS . 0.2 OUTLIER -69.67 -48.8 58.46 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 115.91 -0.587 . . . . 0.0 109.832 179.527 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.51 ' ND1' ' CD2' ' A' ' 12' ' ' HIS . 13.2 m-70 -59.13 -33.06 70.43 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.765 0.317 . . . . 0.0 110.309 179.3 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.433 ' N ' HD12 ' B' ' 31' ' ' ILE . . . -63.08 -45.85 90.21 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.351 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.419 ' O ' ' CB ' ' A' ' 19' ' ' ARG . 1.1 pttt -69.86 -16.42 63.25 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.364 178.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.473 ' OE1' ' CE1' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -78.95 -44.29 22.84 Favored 'General case' 0 CA--C 1.528 0.109 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.508 -179.751 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.436 ' CD1' ' HB2' ' B' ' 28' ' ' LYS . 2.6 tt -76.41 -30.6 19.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.893 0.378 . . . . 0.0 110.576 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -79.64 -31.7 41.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.597 179.628 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.419 ' CB ' ' O ' ' A' ' 15' ' ' LYS . 51.5 ttt-85 -74.62 -40.05 61.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.764 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.445 ' CB ' ' CG2' ' B' ' 24' ' ' ILE . 7.6 mt -69.83 -36.02 75.24 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 179.523 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.27 -43.06 99.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.664 179.715 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.9 ttpt -61.2 -44.89 96.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.967 0.413 . . . . 0.0 110.51 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -58.46 -41.53 85.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.958 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.431 HG13 ' N ' ' A' ' 25' ' ' GLU . 0.7 OUTLIER -64.86 -30.44 50.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.995 0.426 . . . . 0.0 110.321 179.935 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.431 ' N ' HG13 ' A' ' 24' ' ' ILE . 8.0 tt0 -62.72 -45.51 92.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.063 179.384 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -57.44 -50.68 72.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.086 179.274 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.423 ' CE1' ' CD ' ' B' ' 16' ' ' GLU . 6.8 m-70 -65.51 -20.34 66.3 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.544 179.245 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.444 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 6.9 ttpt -79.97 -26.64 39.91 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.754 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -76.95 -38.73 52.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.431 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.43 -41.1 66.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.806 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.444 ' CG2' ' HA ' ' A' ' 28' ' ' LYS . 4.2 tp -76.36 -27.02 17.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.959 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.415 ' O ' ' CB ' ' A' ' 36' ' ' GLN . 34.5 ttpt -80.66 -25.53 38.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.531 179.457 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.9 mttm -77.34 -41.35 40.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.855 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.437 HD23 ' CD1' ' B' ' 10' ' ' ILE . 0.4 OUTLIER -75.57 -32.39 60.37 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.792 179.925 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt -81.55 -26.29 35.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.725 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.415 ' CB ' ' O ' ' A' ' 32' ' ' LYS . 7.9 tt0 -82.08 -25.86 34.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.789 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.86 -26.24 44.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -83.93 -29.51 27.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -88.25 -25.33 22.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -60.25 109.76 1.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.872 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.853 0.358 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 56.12 166.75 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.945 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 3.6 ttpt 51.93 100.01 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 1.9 ptpp? -106.58 22.4 15.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.041 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -91.48 -61.25 1.69 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.93 0.395 . . . . 0.0 110.473 179.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . 0.432 ' HB2' ' CD2' ' A' ' 34' ' ' LEU . 3.8 p-80 -62.92 -33.56 75.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.36 179.593 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.16 -27.66 68.19 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.088 179.234 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -69.01 -60.02 2.65 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.922 179.272 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.437 ' CG ' ' NE2' ' B' ' 13' ' ' HIS . 3.2 tt0 -63.89 -17.9 63.66 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.261 178.711 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.437 ' CD1' HD23 ' A' ' 34' ' ' LEU . 5.4 mt -81.0 -30.44 11.69 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.897 179.703 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 23.0 t -73.09 -36.61 66.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.174 179.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.522 ' CD2' ' ND1' ' B' ' 13' ' ' HIS . 0.2 OUTLIER -69.47 -48.53 60.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.839 179.563 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . 0.522 ' ND1' ' CD2' ' B' ' 12' ' ' HIS . 13.2 m-70 -59.56 -32.93 70.8 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.333 179.329 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . 0.429 ' N ' HD12 ' A' ' 31' ' ' ILE . . . -63.22 -45.5 91.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.478 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . 0.426 ' O ' ' CB ' ' B' ' 19' ' ' ARG . 1.1 pttt -70.14 -16.64 63.12 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.331 178.807 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.464 ' OE1' ' CE1' ' B' ' 12' ' ' HIS . 0.0 OUTLIER -78.53 -44.48 24.22 Favored 'General case' 0 N--CA 1.457 -0.085 0 CA-C-N 116.51 -0.313 . . . . 0.0 111.585 -179.881 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.432 ' CD1' ' HB2' ' A' ' 28' ' ' LYS . 2.6 tt -76.27 -30.93 20.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 120.847 0.356 . . . . 0.0 110.551 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -79.13 -31.48 44.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.679 179.481 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . 0.426 ' CB ' ' O ' ' B' ' 15' ' ' LYS . 51.2 ttt-85 -74.8 -40.19 61.28 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.822 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.427 ' O ' ' CG2' ' B' ' 24' ' ' ILE . 6.4 mt -70.48 -34.47 72.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.872 0.368 . . . . 0.0 110.017 179.592 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.45 -43.1 98.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.47 179.565 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 18.6 ttpt -61.44 -44.62 96.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.963 0.411 . . . . 0.0 110.529 179.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -58.35 -42.01 85.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.996 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . 0.445 ' CG2' ' CB ' ' A' ' 20' ' ' LEU . 0.7 OUTLIER -64.58 -30.52 50.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.977 0.418 . . . . 0.0 110.213 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . 0.421 ' N ' HG13 ' B' ' 24' ' ' ILE . 8.1 tt0 -62.28 -45.72 91.99 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.043 179.45 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -57.32 -50.62 72.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.067 179.263 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . 0.425 ' O ' ' CG2' ' B' ' 31' ' ' ILE . 6.8 m-70 -65.59 -20.01 66.14 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.584 179.254 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.439 ' HA ' ' CG2' ' B' ' 31' ' ' ILE . 6.9 ttpt -80.36 -26.56 38.59 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.733 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -76.99 -38.64 52.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.452 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.42 -41.21 66.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.863 179.759 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . 0.439 ' CG2' ' HA ' ' B' ' 28' ' ' LYS . 4.3 tp -76.24 -27.05 17.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.959 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . 0.42 ' CB ' ' O ' ' B' ' 28' ' ' LYS . 34.6 ttpt -80.71 -25.29 38.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.57 179.466 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 9.9 mttm -77.51 -41.29 39.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.861 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.432 HD23 ' CD1' ' A' ' 10' ' ' ILE . 0.4 OUTLIER -75.73 -32.19 59.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.794 179.932 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt -81.81 -26.49 34.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.701 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . 0.413 ' CB ' ' O ' ' B' ' 32' ' ' LYS . 8.0 tt0 -81.97 -25.83 34.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.789 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 3.1 m -78.78 -26.09 44.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.91 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -84.15 -29.77 26.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.831 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -87.95 -25.35 23.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.959 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -60.18 109.81 1.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.228 -0.891 . . . . 0.0 110.91 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.314 0 CA-C-O 120.87 0.367 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.445 ' O ' ' CD2' ' A' ' 5' ' ' HIS . 0.3 OUTLIER -68.71 160.48 30.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.428 ' HE2' ' CE1' ' A' ' 6' ' ' HIS . 0.0 OUTLIER -104.21 24.74 11.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.0 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.64 -41.23 32.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.783 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.445 ' CD2' ' O ' ' A' ' 2' ' ' LEU . 7.4 p80 -51.22 -24.96 4.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.782 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.428 ' CE1' ' HE2' ' A' ' 3' ' ' LYS . 5.9 m80 -60.29 -50.85 71.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.927 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -55.41 -25.46 35.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.775 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -72.45 -58.15 3.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.298 179.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -57.02 -21.15 28.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.309 179.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.433 HD13 ' CD2' ' B' ' 34' ' ' LEU . 0.0 OUTLIER -72.73 -55.18 13.81 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.457 179.945 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.416 ' N ' ' CG2' ' A' ' 10' ' ' ILE . 0.4 OUTLIER -60.69 -26.17 66.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.725 179.91 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.521 ' CD2' ' ND1' ' A' ' 13' ' ' HIS . 0.2 OUTLIER -72.83 -49.12 32.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.268 179.927 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.521 ' ND1' ' CD2' ' A' ' 12' ' ' HIS . 13.3 m-70 -59.55 -30.28 68.5 Favored 'General case' 0 CA--C 1.52 -0.199 0 C-N-CA 120.932 -0.307 . . . . 0.0 110.32 179.568 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.452 ' N ' HD12 ' B' ' 31' ' ' ILE . . . -65.09 -55.28 19.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.426 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.0 mmtm -64.27 -15.21 59.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.534 179.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.479 ' HB3' ' CE1' ' B' ' 27' ' ' HIS . 3.1 mm-40 -84.34 -33.62 23.83 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.901 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.435 ' CG2' HG23 ' B' ' 31' ' ' ILE . 1.0 OUTLIER -76.23 -36.95 31.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 CA-C-O 120.99 0.424 . . . . 0.0 110.51 179.724 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -77.53 -40.01 44.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.291 179.286 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.0 -27.32 62.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.245 179.511 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.478 HD13 ' CD2' ' B' ' 27' ' ' HIS . 8.5 mt -71.19 -43.04 68.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.108 179.436 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.65 -46.15 91.38 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.65 179.597 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.68 -33.46 75.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.729 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -67.99 -37.26 81.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.049 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.43 ' CG2' ' HB3' ' B' ' 20' ' ' LEU . 0.5 OUTLIER -64.76 -40.81 90.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.066 0.46 . . . . 0.0 110.197 179.929 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.423 ' N ' HG13 ' A' ' 24' ' ' ILE . 0.2 OUTLIER -61.39 -41.15 96.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.314 179.566 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.9 ttp180 -58.31 -41.68 85.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.238 179.479 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.478 ' CD2' HD13 ' B' ' 20' ' ' LEU . 0.2 OUTLIER -66.83 -27.14 67.31 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.942 179.277 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.441 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 0.2 OUTLIER -72.4 -32.11 66.11 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.644 179.686 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -69.56 -41.61 75.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.682 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.84 -44.04 78.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.016 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.451 HD12 ' N ' ' B' ' 14' ' ' ALA . 5.4 tp -70.19 -25.19 27.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.09 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.9 mtpp -77.6 -35.61 52.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.953 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.3 tptt -79.32 -27.26 42.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.713 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.433 ' CD2' HD13 ' B' ' 10' ' ' ILE . 1.2 mt -80.79 -28.88 36.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.688 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 33.9 mttt -79.45 -36.56 38.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.764 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -78.06 -29.62 49.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.683 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 89.0 p -79.57 -26.5 41.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.14 -25.24 47.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.84 -28.58 60.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -111.8 118.15 34.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.178 -0.915 . . . . 0.0 110.857 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.792 0.33 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . 0.445 ' O ' ' CD2' ' B' ' 5' ' ' HIS . 0.3 OUTLIER -68.72 160.45 30.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . 0.435 ' HE2' ' CE1' ' B' ' 6' ' ' HIS . 0.0 OUTLIER -104.12 24.73 10.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.012 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.62 -41.27 32.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.83 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . 0.445 ' CD2' ' O ' ' B' ' 2' ' ' LEU . 7.4 p80 -51.2 -24.94 4.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.824 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . 0.435 ' CE1' ' HE2' ' B' ' 3' ' ' LYS . 5.9 m80 -60.33 -50.89 71.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.824 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -55.48 -25.4 36.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.748 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -72.42 -58.25 3.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.278 179.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -56.99 -21.11 28.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.317 179.081 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.433 HD13 ' CD2' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -72.77 -55.01 14.32 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.485 179.934 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' SER . . . . . 0.402 ' N ' ' CG2' ' B' ' 10' ' ' ILE . 0.4 OUTLIER -60.81 -26.18 67.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.734 179.901 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.514 ' CD2' ' ND1' ' B' ' 13' ' ' HIS . 0.2 OUTLIER -72.93 -48.9 32.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.284 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . 0.514 ' ND1' ' CD2' ' B' ' 12' ' ' HIS . 13.4 m-70 -59.69 -30.18 68.61 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.339 179.543 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . 0.451 ' N ' HD12 ' A' ' 31' ' ' ILE . . . -65.26 -55.23 19.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.345 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 28.1 mmtm -64.18 -15.36 59.72 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.497 178.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.478 ' HB3' ' CE1' ' A' ' 27' ' ' HIS . 3.1 mm-40 -84.17 -33.71 24.15 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.977 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.438 ' CG2' HG23 ' A' ' 31' ' ' ILE . 1.0 OUTLIER -76.22 -37.0 31.47 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 CA-C-O 120.928 0.394 . . . . 0.0 110.44 179.783 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -77.47 -39.99 44.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.262 179.295 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.0 -27.31 62.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.313 179.516 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.478 HD13 ' CD2' ' A' ' 27' ' ' HIS . 8.5 mt -71.19 -43.05 68.19 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.156 179.404 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.63 -46.2 91.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.609 179.61 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . 0.405 ' CE ' ' HA ' ' B' ' 22' ' ' LYS . 0.0 OUTLIER -62.62 -33.52 75.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.729 179.845 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -67.96 -37.24 81.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.091 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . 0.432 ' CG2' ' HB3' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -64.88 -40.66 89.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.074 0.464 . . . . 0.0 110.202 179.944 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . 0.426 ' N ' HG13 ' B' ' 24' ' ' ILE . 0.2 OUTLIER -61.52 -41.09 96.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.302 179.526 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 10.9 ttp180 -58.38 -41.7 85.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.175 179.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . 0.479 ' CE1' ' HB3' ' A' ' 16' ' ' GLU . 0.2 OUTLIER -66.83 -27.1 67.27 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.966 179.276 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.456 ' HA ' ' CG2' ' B' ' 31' ' ' ILE . 0.2 OUTLIER -72.39 -32.11 66.13 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.653 179.645 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -69.63 -41.56 75.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.709 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.72 -44.12 78.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.98 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . 0.456 ' CG2' ' HA ' ' B' ' 28' ' ' LYS . 5.4 tp -70.14 -25.29 27.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 23.9 mtpp -77.56 -35.61 52.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.946 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 8.3 tptt -79.3 -27.28 42.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.774 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.433 ' CD2' HD13 ' A' ' 10' ' ' ILE . 1.1 mt -80.8 -28.8 36.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.715 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 33.8 mttt -79.41 -36.63 38.78 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.799 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -78.08 -29.53 49.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.707 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 89.1 p -79.61 -26.57 41.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.794 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.13 -25.3 47.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.69 -28.73 60.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -111.71 118.21 35.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.934 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.885 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.8 0.333 . . . . 0.0 111.091 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -91.95 126.15 36.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.513 179.725 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.447 ' CD ' ' N ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -100.42 -41.85 6.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.432 -179.502 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 72.14 -81.08 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.227 -179.951 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.491 ' CE1' ' ND1' ' A' ' 6' ' ' HIS . 20.5 p80 -45.01 -32.47 1.67 Allowed 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.074 0.464 . . . . 0.0 110.714 179.822 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.491 ' ND1' ' CE1' ' A' ' 5' ' ' HIS . 2.2 m80 -66.4 -50.45 63.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.135 179.386 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.35 -22.57 43.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.323 178.893 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -70.05 -62.34 1.43 Allowed 'General case' 0 C--O 1.231 0.111 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.603 179.77 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.465 ' O ' ' CD2' ' A' ' 13' ' ' HIS . 2.5 mp0 -68.28 -12.28 60.78 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-O 120.95 0.405 . . . . 0.0 110.582 179.007 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.422 ' CG1' ' O ' ' A' ' 6' ' ' HIS . 53.8 mt -86.03 -29.77 6.19 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.946 179.887 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 26.8 t -78.24 -30.49 48.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.785 179.076 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.556 ' CD2' ' CE1' ' A' ' 13' ' ' HIS . 0.1 OUTLIER -73.95 -48.01 33.53 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 115.745 -0.662 . . . . 0.0 109.776 179.519 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.556 ' CE1' ' CD2' ' A' ' 12' ' ' HIS . 14.2 m-70 -64.18 -30.75 71.8 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 178.906 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.429 ' N ' HG13 ' B' ' 31' ' ' ILE . . . -65.32 -39.36 92.36 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.32 179.509 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 43.6 mttt -71.79 -23.47 61.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.433 179.193 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.453 ' OE2' ' CE1' ' A' ' 12' ' ' HIS . 0.3 OUTLIER -75.05 -41.62 58.67 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.224 179.897 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.474 ' CD1' ' CG ' ' B' ' 28' ' ' LYS . 2.2 tt -74.58 -34.21 34.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.745 0.307 . . . . 0.0 110.631 179.817 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -76.0 -29.47 58.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.436 179.611 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 18.8 ttp85 -73.32 -44.11 59.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.672 179.805 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.464 ' CB ' ' CG2' ' B' ' 24' ' ' ILE . 10.9 mt -66.31 -34.55 78.24 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.062 179.554 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.87 -44.04 97.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.63 179.642 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.3 mtpp -58.61 -46.52 86.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.591 179.684 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -57.76 -43.74 85.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.034 179.909 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.454 ' CG2' ' CB ' ' B' ' 20' ' ' LEU . 0.7 OUTLIER -63.18 -31.08 51.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 121.013 0.435 . . . . 0.0 110.188 179.934 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.429 ' N ' HG13 ' A' ' 24' ' ' ILE . 52.7 tt0 -61.6 -45.96 91.86 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.146 179.521 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.8 ttm-85 -57.22 -48.84 77.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.06 179.255 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.42 ' CE1' ' CB ' ' B' ' 16' ' ' GLU . 0.2 OUTLIER -64.27 -22.78 67.07 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.616 179.313 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.468 ' CG ' ' CD1' ' B' ' 17' ' ' ILE . 0.0 OUTLIER -77.59 -30.13 52.33 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.87 179.968 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -74.41 -36.8 63.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.468 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.6 m -73.8 -42.66 60.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.904 179.872 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.444 HG13 ' N ' ' B' ' 14' ' ' ALA . 0.0 OUTLIER -76.69 -21.69 14.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.222 179.897 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.414 ' CB ' ' O ' ' A' ' 28' ' ' LYS . 3.9 ttmt -83.76 -28.46 28.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.927 0.394 . . . . 0.0 110.374 179.527 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -76.48 -39.27 53.66 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.505 179.71 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.1 mt -75.05 -36.99 61.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.591 179.818 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.5 ttpt -77.18 -25.88 52.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.765 179.839 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -79.2 -31.06 43.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.864 179.835 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.2 m -73.87 -25.54 60.1 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 179.911 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.3 tm-20 -73.67 -25.57 60.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -122.26 26.43 8.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.936 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.63 167.99 20.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 179.953 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.3 t0 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.915 179.984 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.78 0.324 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -103.38 118.38 36.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.29 -179.81 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . 0.468 ' CD ' ' N ' ' B' ' 3' ' ' LYS . 0.0 OUTLIER -114.47 73.77 0.84 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.301 179.497 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 1.7 mmtp -45.06 -60.98 1.81 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.076 -0.511 . . . . 0.0 112.18 -179.387 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . 0.516 ' CE1' ' ND1' ' B' ' 6' ' ' HIS . 18.4 p80 -49.3 -35.15 17.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.718 0.294 . . . . 0.0 111.323 -179.141 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . 0.516 ' ND1' ' CE1' ' B' ' 5' ' ' HIS . 2.7 m80 -64.75 -49.68 69.85 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.824 179.926 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.04 -22.39 49.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.722 0.296 . . . . 0.0 110.475 179.323 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -70.5 -62.03 1.54 Allowed 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.571 179.78 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.479 ' O ' ' CD2' ' B' ' 13' ' ' HIS . 2.3 mp0 -68.41 -12.42 61.13 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.001 0.429 . . . . 0.0 110.621 179.084 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.425 ' CG1' ' O ' ' B' ' 6' ' ' HIS . 53.5 mt -85.78 -30.29 6.36 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.079 179.868 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 26.8 t -77.81 -30.71 51.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.835 179.053 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.558 ' CD2' ' CE1' ' B' ' 13' ' ' HIS . 0.2 OUTLIER -73.54 -48.22 34.72 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.859 179.539 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . 0.558 ' CE1' ' CD2' ' B' ' 12' ' ' HIS . 14.2 m-70 -63.89 -30.95 71.99 Favored 'General case' 0 CA--C 1.521 -0.153 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 178.968 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . 0.444 ' N ' HG13 ' A' ' 31' ' ' ILE . . . -65.23 -39.47 92.78 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.248 179.659 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 43.6 mttt -71.56 -23.59 61.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.36 179.265 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.449 ' OE2' ' CE1' ' B' ' 12' ' ' HIS . 0.3 OUTLIER -74.88 -41.94 58.81 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.15 -179.979 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.468 ' CD1' ' CG ' ' A' ' 28' ' ' LYS . 2.2 tt -74.33 -34.24 36.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.791 0.329 . . . . 0.0 110.653 179.869 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -76.01 -29.36 58.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.493 179.616 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 18.9 ttp85 -73.37 -44.13 59.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.663 179.808 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.454 ' CB ' ' CG2' ' A' ' 24' ' ' ILE . 10.8 mt -66.28 -34.6 78.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.1 179.511 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.8 -44.17 96.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.562 179.695 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 7.2 mtpp -58.49 -46.58 86.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.613 179.747 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -57.67 -43.8 85.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.009 179.878 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . 0.464 ' CG2' ' CB ' ' A' ' 20' ' ' LEU . 0.6 OUTLIER -63.04 -31.2 51.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.993 0.425 . . . . 0.0 110.203 179.927 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . 0.428 ' N ' HG13 ' B' ' 24' ' ' ILE . 52.5 tt0 -61.67 -45.89 92.09 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.125 179.569 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 2.8 ttm-85 -57.22 -48.82 77.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.066 179.223 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . 0.424 ' CE1' ' CB ' ' A' ' 16' ' ' GLU . 0.2 OUTLIER -64.32 -22.84 67.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.617 179.318 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.474 ' CG ' ' CD1' ' A' ' 17' ' ' ILE . 0.0 OUTLIER -77.57 -30.15 52.47 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 179.942 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -74.25 -36.82 63.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.606 179.832 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 3.6 m -73.87 -42.52 60.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.831 179.881 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . 0.429 HG13 ' N ' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -76.77 -21.77 14.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.173 179.96 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . 0.421 ' CB ' ' O ' ' B' ' 28' ' ' LYS . 3.9 ttmt -83.7 -28.45 28.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.412 179.523 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -76.52 -39.3 53.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.543 179.735 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 4.2 mt -75.06 -36.82 61.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.611 179.716 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 7.5 ttpt -77.25 -26.29 52.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.638 179.832 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -79.11 -30.63 43.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.79 179.929 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 58.7 m -74.07 -25.59 59.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.842 179.946 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -73.89 -25.56 60.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.948 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -122.07 26.69 8.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.941 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.84 167.87 20.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.883 179.948 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 3.3 t0 . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.188 -0.91 . . . . 0.0 110.899 179.952 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.795 0.331 . . . . 0.0 111.088 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -126.89 145.22 50.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 24.1 mtmt -123.23 82.96 2.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -82.64 -32.22 28.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.953 179.944 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 5.8 p-80 -52.39 -34.02 46.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.412 ' CG ' ' CD1' ' B' ' 34' ' ' LEU . 0.0 OUTLIER -61.51 -54.91 37.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.52 179.935 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -53.17 -23.24 7.91 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.741 179.497 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -70.27 -60.42 2.29 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.511 179.786 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.478 ' O ' ' CD2' ' A' ' 13' ' ' HIS . 4.5 mp0 -69.95 -9.43 55.05 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.802 178.94 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.436 ' CD1' HD11 ' B' ' 34' ' ' LEU . 45.5 mt -89.15 -30.26 5.24 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.057 179.881 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 81.1 p -79.58 -29.28 41.18 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.967 179.098 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.523 ' CD2' ' ND1' ' A' ' 13' ' ' HIS . 0.5 OUTLIER -78.33 -48.75 14.96 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.902 179.435 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.523 ' ND1' ' CD2' ' A' ' 12' ' ' HIS . 16.3 m-70 -66.81 -25.94 66.7 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 120.461 -0.496 . . . . 0.0 109.863 178.77 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.45 ' N ' HD12 ' B' ' 31' ' ' ILE . . . -66.88 -49.58 65.17 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.179 179.694 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.6 tttt -68.14 -19.44 64.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.423 179.004 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -78.4 -38.39 41.73 Favored 'General case' 0 C--N 1.334 -0.087 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.476 -179.828 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.434 HG13 ' CB ' ' B' ' 28' ' ' LYS . 0.0 OUTLIER -78.35 -27.97 14.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.836 0.351 . . . . 0.0 110.788 179.872 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -80.56 -34.45 35.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.376 179.423 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.3 mmt85 -73.45 -39.75 64.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.273 179.538 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.475 ' CD1' ' CD1' ' B' ' 20' ' ' LEU . 0.0 OUTLIER -66.52 -40.85 89.39 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.145 179.464 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -60.32 -42.37 95.44 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.654 179.62 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.4 ttmt -59.94 -40.65 89.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.599 179.726 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.41 -47.88 83.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.107 179.946 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.43 ' CG2' ' HB3' ' B' ' 20' ' ' LEU . 0.6 OUTLIER -58.7 -36.14 58.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.048 0.451 . . . . 0.0 110.084 179.914 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.42 ' N ' HG13 ' A' ' 24' ' ' ILE . 0.5 OUTLIER -59.59 -43.95 93.51 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.435 179.632 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -55.75 -49.14 73.9 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.074 179.451 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -63.43 -25.92 68.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.283 179.265 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.455 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 5.5 ttmt -76.54 -25.37 54.03 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.869 179.911 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -75.72 -40.1 56.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.608 179.788 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 19.1 m -68.8 -41.73 78.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.88 179.812 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.455 ' CG2' ' HA ' ' A' ' 28' ' ' LYS . 4.2 tp -72.64 -26.42 23.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.949 179.884 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -75.99 -34.39 59.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.543 179.611 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.0 tmmm? -73.26 -33.22 65.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.438 179.574 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.431 HD11 ' CD1' ' B' ' 10' ' ' ILE . 0.1 OUTLIER -69.33 -42.06 75.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.632 179.784 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.7 ttmm -70.96 -29.23 65.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 179.996 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -75.3 -28.83 59.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 58.7 m -72.67 -29.01 63.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -68.88 -31.35 70.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -73.95 -45.32 51.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.851 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -146.29 150.73 36.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.955 179.946 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.0 p30 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.253 -0.879 . . . . 0.0 110.886 -179.967 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 120.754 0.311 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -126.91 145.14 50.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 -179.931 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 24.1 mtmt -123.21 83.0 2.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 7.9 mttt -82.61 -32.27 28.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 179.941 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 5.8 p-80 -52.44 -34.01 46.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.943 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . 0.415 ' CG ' ' CD1' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -61.47 -54.92 37.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.564 179.89 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -53.19 -23.2 7.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.711 179.479 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -70.28 -60.44 2.27 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.501 179.79 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.471 ' O ' ' CD2' ' B' ' 13' ' ' HIS . 4.5 mp0 -69.93 -9.47 55.13 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.767 178.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.431 ' CD1' HD11 ' A' ' 34' ' ' LEU . 45.9 mt -89.08 -30.27 5.25 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.1 179.874 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 81.1 p -79.59 -29.31 41.14 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.939 179.115 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.532 ' CD2' ' ND1' ' B' ' 13' ' ' HIS . 0.5 OUTLIER -78.24 -48.83 14.92 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.822 -0.627 . . . . 0.0 109.903 179.428 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . 0.532 ' ND1' ' CD2' ' B' ' 12' ' ' HIS . 16.3 m-70 -66.82 -25.85 66.65 Favored 'General case' 0 C--N 1.333 -0.13 0 C-N-CA 120.433 -0.507 . . . . 0.0 109.931 178.804 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . 0.449 ' N ' HD12 ' A' ' 31' ' ' ILE . . . -66.93 -49.61 64.99 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.14 179.672 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 17.5 tttt -68.08 -19.48 64.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.453 178.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -78.38 -38.42 41.81 Favored 'General case' 0 C--N 1.334 -0.077 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.442 -179.806 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.426 HG13 ' CB ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -78.37 -27.95 14.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.843 0.354 . . . . 0.0 110.768 179.924 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -80.5 -34.5 35.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.401 179.381 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 2.4 mmt85 -73.43 -39.67 64.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.3 179.531 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.475 ' CD1' ' CD1' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -66.65 -40.82 88.83 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.108 179.519 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -60.32 -42.33 95.37 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.659 179.619 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 3.4 ttmt -59.96 -40.72 90.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.575 179.728 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.33 -47.9 83.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 179.934 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . 0.435 ' CG2' ' HB3' ' A' ' 20' ' ' LEU . 0.6 OUTLIER -58.73 -36.13 59.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.01 0.433 . . . . 0.0 110.045 179.949 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . 0.423 ' N ' HG13 ' B' ' 24' ' ' ILE . 0.5 OUTLIER -59.58 -44.02 93.45 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.427 179.623 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -55.69 -49.13 73.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.07 179.44 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -63.47 -25.93 68.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.271 179.279 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.444 ' HA ' ' CG2' ' B' ' 31' ' ' ILE . 5.4 ttmt -76.51 -25.34 54.09 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.879 179.886 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -75.8 -40.1 55.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.569 179.811 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 19.2 m -68.81 -41.75 78.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.851 179.853 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . 0.45 HD12 ' N ' ' A' ' 14' ' ' ALA . 4.2 tp -72.64 -26.42 23.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.931 179.94 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 8.3 mmtt -75.99 -34.38 59.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.561 179.612 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 4.0 tmmm? -73.3 -33.13 65.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.461 179.572 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.436 HD11 ' CD1' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -69.37 -42.1 75.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.613 179.764 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 3.7 ttmm -70.88 -29.26 65.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.954 179.954 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -75.29 -28.81 59.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 58.5 m -72.72 -28.99 62.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -68.89 -31.35 70.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -73.85 -45.39 51.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.953 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -146.23 150.74 36.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.918 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 3.0 p30 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.873 179.998 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.85 0.357 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -153.09 54.39 0.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.93 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.8 mmtm -55.67 -42.39 75.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.817 179.885 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 70.42 20.43 6.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.252 179.911 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.557 ' CE1' ' CE1' ' A' ' 6' ' ' HIS . 0.6 OUTLIER -93.1 -33.56 14.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.975 0.416 . . . . 0.0 110.593 179.685 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.557 ' CE1' ' CE1' ' A' ' 5' ' ' HIS . 3.6 m-70 -64.09 -41.48 97.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.485 179.806 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -61.65 -25.97 67.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.873 0.368 . . . . 0.0 110.281 179.296 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -68.91 -61.93 1.59 Allowed 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.312 179.455 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.464 ' O ' ' CD2' ' A' ' 13' ' ' HIS . 10.3 tt0 -67.05 -13.21 61.7 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.566 178.944 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.426 ' CG1' ' O ' ' A' ' 6' ' ' HIS . 37.7 mt -87.38 -26.08 5.96 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.091 179.728 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.5 t -75.59 -40.46 56.48 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.804 179.034 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.533 ' CD2' ' ND1' ' A' ' 13' ' ' HIS . 0.3 OUTLIER -69.76 -50.4 43.69 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.559 179.123 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.533 ' ND1' ' CD2' ' A' ' 12' ' ' HIS . 16.1 m-70 -63.33 -27.7 69.5 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 178.591 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.407 ' O ' HG21 ' A' ' 17' ' ' ILE . . . -65.83 -34.94 79.31 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-O 121.243 0.544 . . . . 0.0 109.95 179.215 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.7 ttpt -74.43 -24.71 59.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.053 178.829 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.478 ' HG2' ' CE1' ' B' ' 27' ' ' HIS . 0.0 OUTLIER -74.09 -42.9 59.4 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.601 179.998 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.476 ' CD1' ' CB ' ' B' ' 28' ' ' LYS . 1.4 tt -74.79 -27.32 20.35 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-O 120.894 0.378 . . . . 0.0 110.417 179.642 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.99 -36.2 59.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.82 179.649 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -73.28 -43.01 61.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.63 179.799 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.44 ' HB3' ' CG2' ' B' ' 24' ' ' ILE . 1.4 tp -68.62 -33.01 73.3 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.013 179.627 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.42 -41.73 96.44 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.394 179.418 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.48 -46.02 91.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.41 179.554 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.421 ' CG ' HD22 ' B' ' 20' ' ' LEU . 0.2 OUTLIER -56.63 -44.78 81.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.75 179.645 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.441 ' CG2' ' HB3' ' B' ' 20' ' ' LEU . 0.6 OUTLIER -68.4 -24.19 29.24 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.054 179.629 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.44 ' HA ' ' CG ' ' A' ' 28' ' ' LYS . 0.2 OUTLIER -73.84 -25.64 60.18 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.553 179.84 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -78.0 -45.83 22.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.448 179.644 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.476 ' CG ' ' HB3' ' B' ' 16' ' ' GLU . 1.2 m-70 -72.74 -25.83 61.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.089 179.842 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.479 ' CB ' ' CD1' ' B' ' 17' ' ' ILE . 0.0 OUTLIER -80.96 -29.73 35.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.82 0.343 . . . . 0.0 110.279 179.659 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -70.46 -39.71 74.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.392 179.532 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.68 -44.26 67.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.749 179.767 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.454 ' HB ' ' HB3' ' B' ' 13' ' ' HIS . 0.0 OUTLIER -70.12 -23.64 25.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.145 -179.948 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.423 ' CD ' ' O ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -78.44 -33.34 48.54 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.618 179.611 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.9 mttm -71.47 -37.85 71.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.594 179.831 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.426 ' CD1' ' HG2' ' B' ' 9' ' ' GLU . 0.5 OUTLIER -70.09 -41.41 74.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 179.932 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.43 ' HA ' ' CD1' ' B' ' 10' ' ' ILE . 0.0 OUTLIER -74.21 -24.82 59.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.947 179.976 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -79.31 -27.15 42.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.825 179.829 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.11 -26.4 60.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -72.28 -24.83 61.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -136.98 29.84 2.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.841 -179.967 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 53.38 -177.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.2 t70 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.898 179.981 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.766 0.317 . . . . 0.0 111.056 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -153.1 54.43 0.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.941 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 14.9 mmtm -55.85 -42.36 75.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.746 179.932 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 70.4 20.43 6.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.275 179.903 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . 0.554 ' CE1' ' CE1' ' B' ' 6' ' ' HIS . 0.6 OUTLIER -93.08 -33.64 13.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.019 0.438 . . . . 0.0 110.604 179.736 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . 0.554 ' CE1' ' CE1' ' B' ' 5' ' ' HIS . 3.6 m-70 -64.04 -41.52 97.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.566 179.759 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -61.65 -25.95 67.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.263 179.328 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -68.88 -61.9 1.61 Allowed 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.338 179.469 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.474 ' O ' ' CD2' ' B' ' 13' ' ' HIS . 10.2 tt0 -66.99 -13.35 61.8 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.502 178.911 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.433 ' CG1' ' O ' ' B' ' 6' ' ' HIS . 37.9 mt -87.32 -26.08 5.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.047 179.792 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 1.5 t -75.64 -40.47 56.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.724 179.061 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.532 ' CD2' ' ND1' ' B' ' 13' ' ' HIS . 0.3 OUTLIER -69.8 -50.3 44.35 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.513 179.194 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . 0.532 ' ND1' ' CD2' ' B' ' 12' ' ' HIS . 16.4 m-70 -63.51 -27.6 69.38 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 178.633 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . 0.41 ' O ' HG21 ' B' ' 17' ' ' ILE . . . -65.93 -34.85 79.07 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.211 0.529 . . . . 0.0 109.891 179.252 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 4.8 ttpt -74.56 -24.66 58.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.934 178.895 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.476 ' HB3' ' CG ' ' A' ' 27' ' ' HIS . 0.0 OUTLIER -74.18 -42.79 59.31 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.552 -179.979 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.479 ' CD1' ' CB ' ' A' ' 28' ' ' LYS . 1.4 tt -74.86 -27.38 20.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.793 0.33 . . . . 0.0 110.318 179.64 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.01 -36.23 59.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.746 179.731 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -73.26 -43.1 61.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.62 179.806 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.441 ' HB3' ' CG2' ' A' ' 24' ' ' ILE . 1.4 tp -68.55 -32.95 73.24 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.073 179.567 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.44 -41.74 96.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.378 179.439 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.48 -46.01 91.64 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.444 179.551 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . 0.426 ' CG ' HD22 ' A' ' 20' ' ' LEU . 0.3 OUTLIER -56.74 -44.65 81.88 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.768 179.711 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . 0.44 ' CG2' ' HB3' ' A' ' 20' ' ' LEU . 0.6 OUTLIER -68.45 -24.25 29.2 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.022 179.579 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . 0.44 ' HA ' ' CG ' ' B' ' 28' ' ' LYS . 0.2 OUTLIER -73.78 -25.65 60.24 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.605 179.809 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -77.98 -45.91 22.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.411 179.662 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . 0.478 ' CE1' ' HG2' ' A' ' 16' ' ' GLU . 1.2 m-70 -72.68 -25.83 61.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.072 179.873 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.476 ' CB ' ' CD1' ' A' ' 17' ' ' ILE . 0.0 OUTLIER -80.99 -29.73 35.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.925 0.393 . . . . 0.0 110.294 179.669 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -70.52 -39.54 74.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.392 179.539 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.78 -44.28 66.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.695 179.758 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . 0.445 ' HB ' ' HB3' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -70.07 -23.66 25.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.213 -179.956 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . 0.413 ' CD ' ' O ' ' B' ' 28' ' ' LYS . 0.0 OUTLIER -78.39 -33.43 48.79 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.653 179.593 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 8.0 mttm -71.4 -37.93 71.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.613 179.812 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.428 ' CD1' ' HG2' ' A' ' 9' ' ' GLU . 0.5 OUTLIER -70.1 -41.31 74.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.947 179.897 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . 0.42 ' HA ' ' CD1' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -74.25 -24.77 59.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.903 179.894 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -79.46 -27.07 41.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.782 179.915 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.13 -26.5 60.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 179.876 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -72.08 -24.83 61.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.862 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -137.06 29.76 2.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.902 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 53.39 -177.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 2.2 t70 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.909 -179.984 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.28 0 CA-C-O 120.791 0.329 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -175.79 36.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.827 179.95 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.64 83.92 2.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.983 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.23 -37.83 2.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.11 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -59.69 -26.11 65.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.133 -179.923 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 10.3 p-80 -64.48 -34.14 77.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.955 -179.814 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -60.78 -38.98 87.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.733 179.758 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -67.04 -54.92 17.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.123 179.539 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.48 ' HG3' ' CE1' ' A' ' 13' ' ' HIS . 0.3 OUTLIER -59.56 -18.37 40.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.311 178.619 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.425 HG21 ' N ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -71.77 -52.6 24.49 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.593 179.869 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.425 ' N ' HG21 ' A' ' 10' ' ' ILE . 21.4 m -63.04 -29.36 70.76 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.427 ' CD2' ' ND1' ' A' ' 13' ' ' HIS . 0.2 OUTLIER -72.49 -43.09 64.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.341 -179.919 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.48 ' CE1' ' HG3' ' A' ' 9' ' ' GLU . 11.0 m-70 -61.33 -32.53 72.4 Favored 'General case' 0 C--O 1.224 -0.246 0 C-N-CA 120.926 -0.309 . . . . 0.0 110.369 179.549 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.454 ' N ' HD12 ' B' ' 31' ' ' ILE . . . -65.41 -56.37 12.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.875 0.369 . . . . 0.0 110.236 -179.944 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.4 ' O ' ' CG ' ' A' ' 19' ' ' ARG . 0.2 OUTLIER -64.15 -15.82 60.6 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.228 178.676 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.484 ' HG2' ' CE1' ' B' ' 27' ' ' HIS . 12.8 tp10 -82.6 -33.78 27.87 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.041 179.887 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.432 ' CG2' HG23 ' B' ' 31' ' ' ILE . 1.1 pp -74.57 -36.43 41.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 CA-C-O 120.928 0.394 . . . . 0.0 110.554 179.684 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -76.18 -41.53 49.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.403 179.443 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.4 ' CG ' ' O ' ' A' ' 15' ' ' LYS . 1.4 mmp_? -70.94 -26.45 63.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.444 179.565 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.441 ' HB3' ' CG2' ' B' ' 24' ' ' ILE . 1.4 mm? -70.98 -43.47 67.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.99 179.354 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -59.55 -49.29 78.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.651 179.617 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.35 -34.29 77.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.936 0.398 . . . . 0.0 110.621 179.837 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -64.85 -34.88 79.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.952 179.896 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.447 ' CG2' ' CG2' ' B' ' 24' ' ' ILE . 0.5 OUTLIER -67.67 -42.74 86.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.009 0.433 . . . . 0.0 109.95 179.889 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.421 ' N ' HG13 ' A' ' 24' ' ' ILE . 2.5 tt0 -59.81 -41.57 91.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.306 179.504 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.19 -38.66 83.95 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.235 179.435 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.477 ' CE1' ' HG2' ' B' ' 16' ' ' GLU . 0.8 OUTLIER -66.36 -28.27 68.52 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.06 179.282 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.457 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 32.8 mtpt -72.82 -30.88 64.4 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.672 179.59 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -70.63 -40.63 72.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.673 179.867 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.47 -44.14 75.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.904 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.457 ' CG2' ' HA ' ' A' ' 28' ' ' LYS . 5.4 tp -70.35 -25.78 27.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.194 -179.94 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.9 mtpt -79.21 -32.91 44.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.025 179.926 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.8 tttt -78.81 -30.98 45.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 179.946 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.428 ' CD2' HD13 ' B' ' 10' ' ' ILE . 0.9 OUTLIER -79.22 -30.87 43.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.609 179.913 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.6 mttt -79.04 -35.2 43.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.606 179.755 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 49.9 tp60 -75.81 -30.89 59.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.627 179.831 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 7.8 t -72.77 -26.77 61.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.648 179.77 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -68.73 -32.71 72.69 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.796 179.868 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -63.38 -26.91 68.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.784 179.949 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 68.29 136.13 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.867 179.9 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.4 t0 . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.297 -0.858 . . . . 0.0 110.955 179.96 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.301 0 CA-C-O 120.829 0.347 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -175.83 36.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.827 179.948 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.4 83.92 2.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.21 -37.81 2.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.109 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -59.8 -26.1 65.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.1 -179.868 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 10.3 p-80 -64.51 -34.05 77.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.934 -179.79 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -60.87 -38.87 87.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.794 179.755 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -67.0 -54.92 17.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.14 179.44 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.471 ' HG3' ' CE1' ' B' ' 13' ' ' HIS . 0.3 OUTLIER -59.53 -18.5 41.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.28 178.679 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.428 HD13 ' CD2' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -71.67 -52.72 23.91 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.543 179.908 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 11' ' ' SER . . . . . 0.421 ' N ' HG21 ' B' ' 10' ' ' ILE . 21.2 m -63.08 -29.36 70.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.845 -179.923 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.427 ' CD2' ' ND1' ' B' ' 13' ' ' HIS . 0.2 OUTLIER -72.31 -43.36 64.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.314 -179.976 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . 0.471 ' CE1' ' HG3' ' B' ' 9' ' ' GLU . 11.2 m-70 -61.11 -32.65 72.33 Favored 'General case' 0 CA--C 1.519 -0.219 0 C-N-CA 120.914 -0.314 . . . . 0.0 110.437 179.576 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . 0.454 ' N ' HD12 ' A' ' 31' ' ' ILE . . . -65.36 -56.22 13.8 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.247 -179.947 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . 0.408 ' O ' ' CG ' ' B' ' 19' ' ' ARG . 0.2 OUTLIER -64.38 -15.68 60.91 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.181 178.688 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.477 ' HG2' ' CE1' ' A' ' 27' ' ' HIS . 12.6 tp10 -82.66 -33.82 27.64 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.964 179.857 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.435 ' CG2' ' O ' ' B' ' 13' ' ' HIS . 1.1 pp -74.6 -36.54 41.28 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.158 0 CA-C-O 121.002 0.429 . . . . 0.0 110.565 179.739 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -76.37 -40.96 49.7 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.369 179.475 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . 0.408 ' CG ' ' O ' ' B' ' 15' ' ' LYS . 1.5 mmp_? -71.28 -26.2 62.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.458 179.501 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.436 ' HB3' ' CG2' ' A' ' 24' ' ' ILE . 1.4 mm? -71.1 -43.7 67.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.004 179.483 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -60.39 -47.69 85.0 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.562 179.506 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.59 -31.68 72.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.659 179.737 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . 0.409 ' OE1' ' CD1' ' A' ' 20' ' ' LEU . 33.2 tt0 -69.77 -34.15 73.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.08 -179.883 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . 0.447 ' CG2' ' CG2' ' A' ' 24' ' ' ILE . 0.5 OUTLIER -67.67 -42.56 86.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.036 0.446 . . . . 0.0 110.063 179.858 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . 0.419 ' N ' HG13 ' B' ' 24' ' ' ILE . 2.4 tt0 -59.99 -41.58 92.37 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.238 179.425 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.13 -38.37 82.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.234 179.388 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . 0.484 ' CE1' ' HG2' ' A' ' 16' ' ' GLU . 0.8 OUTLIER -66.69 -28.28 68.32 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.978 179.31 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.453 ' HA ' ' CG2' ' B' ' 31' ' ' ILE . 33.0 mtpt -73.02 -30.64 63.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.635 179.694 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -70.8 -40.56 72.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.807 179.729 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.43 -44.2 75.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.803 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . 0.455 ' CD1' ' HB2' ' A' ' 13' ' ' HIS . 5.4 tp -70.25 -25.81 28.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.233 -179.943 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 13.9 mtpt -79.21 -32.84 44.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.021 179.92 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 7.8 tttt -78.88 -31.0 45.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.816 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.419 ' CD2' HD13 ' A' ' 10' ' ' ILE . 0.9 OUTLIER -79.2 -30.95 43.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.586 179.884 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 4.6 mttt -78.96 -35.17 43.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.648 179.733 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 50.3 tp60 -75.85 -30.84 59.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.655 179.789 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 7.9 t -72.89 -26.63 61.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.65 179.745 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -68.78 -32.75 72.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.772 179.862 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -63.43 -26.81 68.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.814 179.958 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 68.27 136.12 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.962 179.964 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 1.4 t0 . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.296 -0.859 . . . . 0.0 110.931 179.958 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.788 0.328 . . . . 0.0 111.059 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.1 tp -126.99 -76.29 0.58 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.941 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.411 ' HD3' ' N ' ' A' ' 3' ' ' LYS . 0.1 OUTLIER 60.27 150.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.969 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.41 20.1 6.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.135 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -95.4 -40.61 9.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.96 0.41 . . . . 0.0 110.329 179.65 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.43 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 2.0 m-70 -63.03 -42.08 99.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.557 179.727 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.48 -24.68 66.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.357 179.286 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -70.45 -61.21 1.86 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.312 179.592 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.468 ' O ' ' CD2' ' A' ' 13' ' ' HIS . 8.7 mp0 -69.47 -10.77 59.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.738 178.979 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.434 ' O ' ' CD1' ' B' ' 31' ' ' ILE . 39.8 mt -90.15 -26.88 5.19 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.99 179.802 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.13 -29.27 34.84 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.817 179.189 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.53 ' CD2' ' CE1' ' A' ' 13' ' ' HIS . 0.6 OUTLIER -79.39 -48.58 13.76 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.763 179.481 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.53 ' CE1' ' CD2' ' A' ' 12' ' ' HIS . 19.4 m-70 -68.33 -27.13 66.01 Favored 'General case' 0 N--CA 1.457 -0.106 0 C-N-CA 120.523 -0.471 . . . . 0.0 109.911 178.802 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.421 ' CB ' ' O ' ' A' ' 10' ' ' ILE . . . -67.82 -46.0 73.1 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.322 179.795 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.413 ' O ' ' CB ' ' A' ' 19' ' ' ARG . 9.9 tttp -70.99 -20.28 62.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.584 179.328 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.472 ' HG2' ' CE1' ' B' ' 27' ' ' HIS . 0.0 OUTLIER -80.0 -35.63 37.1 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.48 -179.858 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.402 HG12 HD11 ' B' ' 24' ' ' ILE . 0.0 OUTLIER -79.6 -33.68 15.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.842 0.353 . . . . 0.0 110.587 179.882 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -80.13 -30.84 39.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.495 179.48 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.429 ' O ' ' CG ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -76.7 -38.93 53.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.628 179.779 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.475 HD13 ' CD2' ' B' ' 27' ' ' HIS . 17.6 mt -71.36 -33.97 70.04 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.331 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -45.77 88.71 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.948 179.781 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.429 ' CG ' ' O ' ' A' ' 19' ' ' ARG . 6.0 pttt -61.69 -40.87 96.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.939 0.4 . . . . 0.0 110.464 179.737 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.417 ' N ' ' HG3' ' A' ' 22' ' ' LYS . 0.3 OUTLIER -59.69 -42.77 93.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.834 179.681 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.434 HG13 ' N ' ' A' ' 25' ' ' GLU . 0.7 OUTLIER -63.58 -31.83 54.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 121.064 0.459 . . . . 0.0 110.049 179.771 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.434 ' N ' HG13 ' A' ' 24' ' ' ILE . 4.3 tt0 -61.57 -43.66 98.44 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.184 179.506 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -58.81 -50.84 72.45 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.192 179.308 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.477 ' CG ' ' HB3' ' B' ' 16' ' ' GLU . 21.2 m-70 -65.51 -19.44 65.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.492 179.184 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.434 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 4.6 ttmt -77.62 -32.53 53.51 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.702 179.826 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -72.8 -39.72 66.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.582 179.929 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.52 -39.7 77.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.832 179.811 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.435 HD12 ' N ' ' B' ' 14' ' ' ALA . 7.2 tp -74.53 -26.66 20.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.205 -179.957 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.2 ttmt -79.99 -29.79 39.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.761 179.896 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.3 tptt -76.94 -36.82 56.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.608 179.779 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.429 ' HB3' ' CG1' ' B' ' 10' ' ' ILE . 0.0 OUTLIER -73.51 -37.73 65.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.766 179.786 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -77.58 -27.48 51.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.577 179.8 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.419 ' O ' ' N ' ' A' ' 40' ' ' ASP . 70.9 mt-30 -78.29 -26.59 47.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.645 179.829 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 63.2 p -72.99 -31.18 64.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.907 179.903 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -73.1 -26.4 61.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.82 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -138.37 40.49 2.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.84 179.924 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.419 ' N ' ' O ' ' A' ' 36' ' ' GLN . 26.5 t0 -65.29 148.47 51.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 -179.915 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.276 -0.868 . . . . 0.0 110.984 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.758 0.313 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -127.05 -76.3 0.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . 0.416 ' HD3' ' N ' ' B' ' 3' ' ' LYS . 0.1 OUTLIER 60.24 150.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.844 179.962 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.51 20.23 6.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.238 179.894 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -95.46 -40.9 9.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.019 0.438 . . . . 0.0 110.374 179.631 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . 0.428 ' O ' ' CG1' ' B' ' 10' ' ' ILE . 2.0 m-70 -62.84 -42.0 99.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.494 179.727 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.5 -24.73 66.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.799 0.333 . . . . 0.0 110.412 179.314 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -70.33 -60.99 1.95 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.382 179.527 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.463 ' O ' ' CD2' ' B' ' 13' ' ' HIS . 8.6 mp0 -69.59 -10.78 59.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.771 178.941 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.429 ' CG1' ' HB3' ' A' ' 34' ' ' LEU . 40.1 mt -90.18 -26.71 5.23 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.047 179.845 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.39 -29.4 33.99 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.869 179.036 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.533 ' CD2' ' ND1' ' B' ' 13' ' ' HIS . 0.5 OUTLIER -79.0 -48.56 14.22 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.846 179.389 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . 0.533 ' ND1' ' CD2' ' B' ' 12' ' ' HIS . 17.6 m-70 -68.25 -26.78 65.85 Favored 'General case' 0 CA--C 1.522 -0.103 0 C-N-CA 120.494 -0.482 . . . . 0.0 109.923 178.706 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . 0.435 ' N ' HD12 ' A' ' 31' ' ' ILE . . . -68.04 -45.78 72.97 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.379 -179.921 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . 0.417 ' O ' ' CB ' ' B' ' 19' ' ' ARG . 9.7 tttp -71.43 -20.12 62.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.526 179.187 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.477 ' HB3' ' CG ' ' A' ' 27' ' ' HIS . 0.0 OUTLIER -80.28 -35.79 35.39 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.54 -179.876 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -79.89 -33.1 14.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.832 0.349 . . . . 0.0 110.531 179.834 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -80.33 -30.83 38.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.508 179.36 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . 0.425 ' O ' ' CG ' ' B' ' 22' ' ' LYS . 0.0 OUTLIER -76.92 -38.67 52.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.708 179.721 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.455 HD13 ' CD2' ' A' ' 27' ' ' HIS . 17.1 mt -71.76 -33.18 68.43 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 179.286 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.4 -45.87 85.78 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.833 179.605 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . 0.425 ' CG ' ' O ' ' B' ' 19' ' ' ARG . 6.1 pttt -61.58 -40.9 96.44 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.878 0.37 . . . . 0.0 110.444 179.83 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . 0.415 ' N ' ' HG3' ' B' ' 22' ' ' LYS . 0.3 OUTLIER -59.6 -43.27 93.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.779 179.69 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . 0.43 ' CG2' ' O ' ' B' ' 20' ' ' LEU . 0.7 OUTLIER -63.58 -31.04 51.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.998 0.428 . . . . 0.0 110.029 179.873 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . 0.41 ' N ' HG13 ' B' ' 24' ' ' ILE . 4.2 tt0 -62.23 -43.59 98.49 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.139 179.605 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -58.71 -49.79 76.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.041 179.317 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . 0.475 ' CD2' HD13 ' A' ' 20' ' ' LEU . 21.4 m-70 -65.73 -21.17 66.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.67 179.422 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.445 ' HA ' ' CG2' ' B' ' 31' ' ' ILE . 15.6 ttpt -75.83 -33.57 60.07 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.546 179.652 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -71.5 -38.33 71.17 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.492 179.933 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.22 -41.78 69.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.168 179.892 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . 0.445 ' CG2' ' HA ' ' B' ' 28' ' ' LYS . 4.5 tp -74.65 -23.96 18.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.139 -179.942 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 20.4 ttmt -81.58 -31.33 32.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.622 179.524 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -75.65 -36.97 60.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.574 179.692 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.431 ' HB3' ' CG1' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -72.95 -38.4 66.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.667 179.792 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -76.86 -26.75 54.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.645 179.785 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . 0.412 ' O ' ' N ' ' B' ' 40' ' ' ASP . 70.3 mt-30 -78.77 -26.47 44.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.735 179.842 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 63.5 p -72.97 -30.91 64.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.869 179.826 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -73.26 -25.92 60.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -138.75 40.13 2.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 179.904 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . 0.412 ' N ' ' O ' ' B' ' 36' ' ' GLN . 25.8 t0 -64.86 148.61 51.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.959 -179.953 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.253 -0.88 . . . . 0.0 110.901 179.963 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.839 0.352 . . . . 0.0 111.079 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -129.39 101.8 6.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.979 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.516 ' CG ' ' CD2' ' A' ' 5' ' ' HIS . 0.1 OUTLIER -137.45 -76.41 0.4 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.825 -179.978 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.4 mttm 67.45 13.11 9.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.485 179.974 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.574 ' CE1' ' CE1' ' A' ' 6' ' ' HIS . 0.9 OUTLIER -94.1 -34.4 12.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.976 0.417 . . . . 0.0 110.47 179.695 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.574 ' CE1' ' CE1' ' A' ' 5' ' ' HIS . 0.9 OUTLIER -65.28 -26.34 68.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.443 179.569 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.26 -40.01 71.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.548 179.798 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 56.2 m-80 -62.4 -46.04 90.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.394 179.526 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -59.72 -48.9 79.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.324 179.584 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.48 ' CG2' ' CB ' ' B' ' 34' ' ' LEU . 12.6 pt -70.84 -13.74 17.37 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.382 178.894 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.5 p -68.73 -41.59 78.79 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 178.02 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.522 ' CD2' ' CE1' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -68.92 -44.93 72.11 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.568 178.765 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.522 ' CE1' ' CD2' ' A' ' 12' ' ' HIS . 9.2 m-70 -60.55 -27.54 67.75 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.241 179.239 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.11 -47.73 70.27 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.873 179.587 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.68 -17.52 64.61 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.255 178.716 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.473 ' HB3' ' CE1' ' B' ' 27' ' ' HIS . 25.7 mm-40 -77.15 -47.79 19.42 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.433 -179.846 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.47 ' CD1' ' CB ' ' B' ' 28' ' ' LYS . 3.4 tt -73.84 -28.16 23.79 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-O 120.921 0.391 . . . . 0.0 110.644 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -79.34 -32.2 43.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.227 179.371 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 37.7 ttt180 -70.03 -45.0 68.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.542 179.567 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.455 ' CB ' ' CG2' ' B' ' 24' ' ' ILE . 4.1 mt -66.07 -38.22 87.77 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.108 179.498 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -62.28 -34.24 76.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.547 179.673 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.7 ttmt -63.88 -50.63 68.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.431 179.513 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -56.55 -42.8 79.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.834 179.721 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.446 ' CG2' ' CB ' ' B' ' 20' ' ' LEU . 0.6 OUTLIER -64.19 -30.06 49.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.813 179.696 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.412 ' N ' HG13 ' A' ' 24' ' ' ILE . 5.2 tt0 -60.99 -46.29 91.33 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.112 179.47 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 63.3 ttt180 -58.5 -46.05 87.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.126 0.489 . . . . 0.0 110.045 179.217 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.476 ' CE1' ' HB3' ' B' ' 16' ' ' GLU . 0.3 OUTLIER -66.62 -21.53 66.12 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.994 179.518 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.465 ' CB ' ' CD1' ' B' ' 17' ' ' ILE . 0.0 OUTLIER -80.93 -25.94 37.08 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.836 0.35 . . . . 0.0 110.744 -179.993 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -73.81 -43.15 59.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.148 179.602 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.23 -49.21 68.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.663 179.577 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.464 ' CG2' ' HA ' ' A' ' 28' ' ' LYS . 4.3 tp -67.9 -27.37 37.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.173 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.423 ' CB ' ' O ' ' A' ' 28' ' ' LYS . 21.2 ttmt -79.21 -21.14 46.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.981 179.784 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -81.87 -38.09 25.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.351 -179.807 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.488 ' CB ' ' CG2' ' B' ' 10' ' ' ILE . 21.7 mt -81.28 -27.05 35.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.814 0.34 . . . . 0.0 110.717 -179.915 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.422 ' CG ' ' HA ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -86.52 -25.64 24.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.66 179.67 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.423 ' CB ' ' O ' ' A' ' 32' ' ' LYS . 0.3 OUTLIER -86.18 -26.2 25.25 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.643 179.721 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.1 t -85.19 -31.18 23.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.817 179.896 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.44 -25.19 25.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 179.836 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -97.84 -23.52 15.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.015 179.919 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 56.34 103.02 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.915 -179.983 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.8 t0 . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.889 179.961 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.785 0.326 . . . . 0.0 111.079 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -129.39 101.75 6.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . 0.52 ' CG ' ' CD2' ' B' ' 5' ' ' HIS . 0.1 OUTLIER -137.24 -76.52 0.41 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.872 -179.995 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 5.5 mttm 67.51 12.88 9.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.57 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . 0.574 ' CE1' ' CE1' ' B' ' 6' ' ' HIS . 0.9 OUTLIER -93.97 -34.43 13.06 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.009 0.433 . . . . 0.0 110.503 179.68 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . 0.574 ' CE1' ' CE1' ' B' ' 5' ' ' HIS . 0.9 OUTLIER -65.16 -26.42 68.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.518 179.524 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.14 -39.83 71.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.6 179.714 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 56.4 m-80 -62.62 -45.89 90.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.404 179.578 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -59.65 -48.8 80.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.332 179.497 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.488 ' CG2' ' CB ' ' A' ' 34' ' ' LEU . 12.6 pt -70.9 -13.88 17.49 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.437 178.861 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 3.6 p -68.97 -41.42 77.94 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 178.056 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.526 ' CD2' ' CE1' ' B' ' 13' ' ' HIS . 0.0 OUTLIER -68.9 -45.81 69.94 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.603 178.732 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . 0.526 ' CE1' ' CD2' ' B' ' 12' ' ' HIS . 9.2 m-70 -59.98 -27.75 67.1 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.234 179.158 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.46 -48.07 71.08 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.876 179.701 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.36 -17.32 64.7 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.285 178.566 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.476 ' HB3' ' CE1' ' A' ' 27' ' ' HIS . 25.7 mm-40 -77.21 -47.54 19.97 Favored 'General case' 0 CA--C 1.528 0.113 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.582 -179.904 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.465 ' CD1' ' CB ' ' A' ' 28' ' ' LYS . 3.4 tt -74.1 -28.15 23.09 Favored 'Isoleucine or valine' 0 C--O 1.231 0.124 0 CA-C-O 120.93 0.395 . . . . 0.0 110.598 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -79.24 -32.26 43.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.263 179.344 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 37.3 ttt180 -70.19 -45.08 67.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.505 179.62 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.446 ' CB ' ' CG2' ' A' ' 24' ' ' ILE . 4.2 mt -65.9 -38.26 88.27 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.074 179.474 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -62.27 -34.35 76.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.591 179.63 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 13.6 ttmt -63.77 -50.41 69.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.488 179.555 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -56.86 -42.71 80.21 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.835 179.672 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . 0.455 ' CG2' ' CB ' ' A' ' 20' ' ' LEU . 0.6 OUTLIER -64.18 -29.67 47.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.066 0.46 . . . . 0.0 109.81 179.7 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' B' ' 28' ' ' LYS . 5.2 tt0 -61.57 -46.77 88.45 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.125 179.522 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 62.5 ttt180 -57.95 -45.99 85.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.101 0.477 . . . . 0.0 110.032 179.22 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . 0.473 ' CE1' ' HB3' ' A' ' 16' ' ' GLU . 0.3 OUTLIER -66.55 -22.56 66.15 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.894 179.589 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.47 ' CB ' ' CD1' ' A' ' 17' ' ' ILE . 0.0 OUTLIER -79.69 -26.27 41.0 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.804 0.335 . . . . 0.0 110.793 -179.962 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -73.77 -42.74 60.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.255 179.619 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.81 -47.74 71.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.866 179.667 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . 0.463 ' CG2' ' HA ' ' B' ' 28' ' ' LYS . 3.6 tp -69.82 -26.7 30.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.985 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . 0.427 ' HA ' ' CG ' ' B' ' 35' ' ' LYS . 21.0 ttmt -79.41 -21.28 45.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 179.674 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -81.68 -38.51 25.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.236 -179.768 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.48 ' CB ' ' CG2' ' A' ' 10' ' ' ILE . 21.7 mt -80.83 -27.17 36.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.814 0.34 . . . . 0.0 110.803 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . 0.427 ' CG ' ' HA ' ' B' ' 32' ' ' LYS . 0.0 OUTLIER -86.41 -25.58 25.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.691 179.622 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . 0.42 ' CB ' ' O ' ' B' ' 32' ' ' LYS . 0.3 OUTLIER -86.2 -26.11 25.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.667 179.731 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 8.1 t -85.19 -31.18 23.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.737 179.944 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.48 -25.32 25.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.843 179.823 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -97.67 -23.37 15.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.98 179.938 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 56.08 103.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.919 -179.96 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 26.7 t0 . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.193 -0.908 . . . . 0.0 110.934 179.957 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.829 0.347 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.0 tp -178.07 91.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.983 179.977 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? 60.28 118.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.95 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.419 ' O ' ' ND2' ' A' ' 8' ' ' ASN . 0.1 OUTLIER -110.62 19.09 19.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.33 179.965 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.407 ' ND1' ' N ' ' A' ' 5' ' ' HIS . 1.1 m-70 -92.26 -61.51 1.6 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.975 0.417 . . . . 0.0 110.476 179.67 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -59.38 -23.13 62.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.651 179.545 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -72.02 -43.01 65.7 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.596 179.789 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.419 ' ND2' ' O ' ' A' ' 4' ' ' LYS . 45.7 m-20 -60.39 -45.19 94.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.33 179.588 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.73 -50.64 73.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.284 179.507 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.49 ' CG2' ' CB ' ' B' ' 34' ' ' LEU . 12.0 pt -69.4 -12.63 16.28 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 C-N-CA 120.654 -0.418 . . . . 0.0 110.506 178.92 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.3 -41.77 72.9 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 178.13 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.571 ' CD2' ' CE1' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -70.96 -39.45 72.55 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.016 179.127 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.571 ' CE1' ' CD2' ' A' ' 12' ' ' HIS . 3.4 m-70 -66.22 -27.21 67.79 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-O 120.751 0.31 . . . . 0.0 110.272 179.127 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.8 -49.01 64.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.085 179.793 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 47.8 mttm -67.46 -20.42 65.48 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.48 179.07 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.45 ' CB ' ' CE1' ' B' ' 27' ' ' HIS . 6.9 mm-40 -77.09 -42.03 39.78 Favored 'General case' 0 C--N 1.334 -0.09 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.598 -179.752 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.428 ' CD1' ' O ' ' A' ' 17' ' ' ILE . 0.0 OUTLIER -77.93 -25.88 14.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.851 0.358 . . . . 0.0 110.604 179.883 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -80.07 -32.5 39.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.131 179.281 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.7 ttp85 -72.74 -47.49 46.47 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.299 179.453 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.441 ' HB3' ' CG2' ' B' ' 24' ' ' ILE . 2.9 mm? -65.05 -37.71 88.46 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.729 179.224 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.34 -35.12 78.11 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.328 179.453 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.6 ttpt -61.46 -51.02 70.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.392 179.602 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -56.86 -44.17 81.92 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.674 179.734 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.436 ' CG2' ' HB3' ' B' ' 20' ' ' LEU . 0.7 OUTLIER -62.66 -29.09 46.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.701 179.633 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -67.27 -36.21 81.11 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.301 179.689 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.48 -53.63 51.94 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.828 179.279 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.466 ' CE1' ' CB ' ' B' ' 16' ' ' GLU . 0.2 OUTLIER -64.79 -23.49 67.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.049 178.875 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.474 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 23.4 ttmt -77.81 -24.71 48.67 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.97 179.805 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -75.5 -42.95 51.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.382 179.748 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 50.7 m -66.37 -43.89 84.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.875 179.764 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.474 ' CG2' ' HA ' ' A' ' 28' ' ' LYS . 4.0 tp -70.18 -32.7 51.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.161 -179.9 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.41 ' O ' ' CG ' ' A' ' 36' ' ' GLN . 0.8 OUTLIER -76.66 -19.46 57.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.825 179.423 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.17 -41.08 25.99 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.263 -179.768 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.482 ' CB ' ' CG2' ' B' ' 10' ' ' ILE . 14.0 mt -80.41 -24.31 39.75 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.813 0.339 . . . . 0.0 110.708 179.983 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.4 ttmt -85.58 -26.4 26.15 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.556 179.588 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.41 ' CG ' ' O ' ' A' ' 32' ' ' LYS . 42.0 mt-30 -81.66 -33.34 31.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.704 179.689 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 58.7 m -74.98 -25.72 59.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.749 179.861 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -76.51 -27.24 55.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.865 179.918 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -130.72 27.21 4.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.992 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -59.0 150.34 24.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.931 -179.983 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.209 -0.9 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.803 0.335 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 5.1 tp -178.1 91.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? 60.24 118.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . 0.413 ' O ' ' ND2' ' B' ' 8' ' ' ASN . 0.1 OUTLIER -110.53 18.99 19.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.306 179.949 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -92.2 -61.49 1.6 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.007 0.432 . . . . 0.0 110.458 179.697 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -59.38 -23.26 62.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.64 179.547 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -71.93 -43.04 65.91 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.586 179.878 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . 0.413 ' ND2' ' O ' ' B' ' 4' ' ' LYS . 45.8 m-20 -60.37 -45.38 93.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.329 179.552 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.6 -50.4 74.02 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.276 179.612 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.482 ' CG2' ' CB ' ' A' ' 34' ' ' LEU . 11.7 pt -69.17 -13.36 17.17 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.499 178.968 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.78 -41.7 74.79 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 178.216 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.575 ' CD2' ' CE1' ' B' ' 13' ' ' HIS . 0.0 OUTLIER -71.27 -39.3 71.63 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.961 179.1 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . 0.575 ' CE1' ' CD2' ' B' ' 12' ' ' HIS . 3.5 m-70 -66.3 -26.71 67.44 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-O 120.779 0.323 . . . . 0.0 110.284 179.034 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.6 -49.07 62.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.145 179.829 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 47.6 mttm -67.27 -20.69 65.68 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.454 179.001 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.466 ' CB ' ' CE1' ' A' ' 27' ' ' HIS . 7.0 mm-40 -76.64 -42.51 41.81 Favored 'General case' 0 CA--C 1.527 0.093 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.532 -179.883 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.416 ' O ' ' CD1' ' B' ' 17' ' ' ILE . 0.0 OUTLIER -77.4 -25.92 15.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.832 0.349 . . . . 0.0 110.647 179.913 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -80.0 -32.56 39.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.245 179.32 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 4.7 ttp85 -72.59 -47.37 48.47 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.311 179.458 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.436 ' HB3' ' CG2' ' A' ' 24' ' ' ILE . 2.9 mm? -65.34 -37.59 87.55 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.728 179.32 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.22 -35.32 78.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.296 179.392 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 14.6 ttpt -61.38 -51.12 70.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.423 179.635 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -56.72 -44.1 81.28 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.756 179.657 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . 0.441 ' CG2' ' HB3' ' A' ' 20' ' ' LEU . 0.7 OUTLIER -62.56 -29.36 46.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.656 179.637 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -67.03 -36.29 81.75 Favored 'General case' 0 N--CA 1.456 -0.144 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.341 179.704 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.38 -53.44 54.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.906 179.3 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . 0.45 ' CE1' ' CB ' ' A' ' 16' ' ' GLU . 0.2 OUTLIER -65.14 -22.99 67.0 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.142 178.79 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.467 ' HA ' ' CG2' ' B' ' 31' ' ' ILE . 22.9 ttmt -78.63 -23.91 45.58 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.969 179.838 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -76.23 -43.54 41.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.321 179.726 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 51.6 m -65.32 -44.81 86.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.734 179.538 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . 0.467 ' CG2' ' HA ' ' B' ' 28' ' ' LYS . 5.1 tp -68.16 -35.41 71.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.284 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . 0.421 ' O ' ' CG ' ' B' ' 36' ' ' GLN . 0.8 OUTLIER -74.62 -19.15 60.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.698 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.47 -40.81 25.53 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.289 -179.758 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.49 ' CB ' ' CG2' ' A' ' 10' ' ' ILE . 14.1 mt -80.7 -23.93 39.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.783 0.325 . . . . 0.0 110.69 179.939 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 14.4 ttmt -85.96 -26.58 25.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.461 179.637 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . 0.421 ' CG ' ' O ' ' B' ' 32' ' ' LYS . 42.2 mt-30 -81.64 -33.43 31.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.591 179.756 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 58.7 m -74.9 -25.66 59.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.738 179.88 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -76.79 -27.12 55.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.895 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -130.72 27.19 4.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -59.06 150.42 24.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.973 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.761 0.315 . . . . 0.0 111.056 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -155.21 -79.06 0.09 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 180.0 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.459 ' CD ' ' CG ' ' B' ' 38' ' ' GLU . 0.0 OUTLIER 63.43 143.75 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.969 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.65 -49.25 3.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.421 ' HA ' ' ND2' ' A' ' 8' ' ' ASN . 2.5 p-80 -52.76 -45.27 67.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.608 179.89 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.443 ' CD2' HD21 ' B' ' 34' ' ' LEU . 0.1 OUTLIER -64.27 -51.93 61.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.663 179.782 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -56.33 -20.63 19.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.83 179.385 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.421 ' ND2' ' HA ' ' A' ' 5' ' ' HIS . 49.5 m-20 -73.2 -60.37 2.27 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.421 179.725 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.449 ' O ' ' CD2' ' A' ' 13' ' ' HIS . 33.2 mt-10 -71.6 -8.57 54.88 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.73 179.066 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.427 HD12 ' CB ' ' B' ' 35' ' ' LYS . 66.7 mt -91.72 -29.93 4.7 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.937 179.845 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.27 -29.59 48.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.644 179.06 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.519 ' CD2' ' ND1' ' A' ' 13' ' ' HIS . 0.8 OUTLIER -78.17 -51.98 9.41 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.409 179.06 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.519 ' ND1' ' CD2' ' A' ' 12' ' ' HIS . 18.2 m-70 -63.78 -28.04 69.6 Favored 'General case' 0 CA--C 1.52 -0.177 0 C-N-CA 120.528 -0.469 . . . . 0.0 109.863 178.777 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.31 -50.18 66.67 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.451 179.735 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.4 mtpm? -58.14 -32.06 67.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.062 179.344 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.481 ' HB3' ' CE1' ' B' ' 27' ' ' HIS . 0.0 OUTLIER -65.25 -51.28 61.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.946 179.794 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -62.35 -22.44 29.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.902 -179.98 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -76.16 -37.29 58.12 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.428 179.818 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -65.31 -51.38 60.99 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.199 179.444 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.421 ' CB ' HG21 ' B' ' 24' ' ' ILE . 4.5 mt -59.93 -43.62 94.81 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 179.192 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.448 ' NE2' ' NE2' ' B' ' 21' ' ' GLN . 0.4 OUTLIER -60.27 -29.31 68.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.354 179.476 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.0 ttpt -62.86 -48.22 79.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.991 179.481 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -59.27 -49.33 78.27 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.66 179.508 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.434 HG21 ' CB ' ' B' ' 20' ' ' LEU . 0.6 OUTLIER -60.37 -26.87 38.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.93 179.68 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -68.98 -35.58 76.88 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.02 179.532 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 11.4 ttt180 -62.01 -48.52 79.93 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.84 179.069 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.443 ' CE1' ' HB3' ' B' ' 16' ' ' GLU . 0.2 OUTLIER -66.05 -28.61 68.97 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.66 178.852 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.439 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 2.0 ttmt -76.65 -19.6 57.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.826 179.621 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.432 ' HA ' ' CD ' ' A' ' 32' ' ' LYS . 9.5 tt0 -78.19 -41.9 33.14 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.855 0.36 . . . . 0.0 110.495 179.845 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.64 -40.27 73.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.849 179.838 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.459 HG22 HD11 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -74.13 -33.37 35.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.316 -179.769 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.432 ' CD ' ' HA ' ' A' ' 29' ' ' GLN . 12.0 pttt -78.17 -24.48 47.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.748 0.309 . . . . 0.0 110.316 179.449 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.7 mtpt -73.64 -40.66 63.58 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.376 179.494 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.444 HD21 ' CD2' ' B' ' 6' ' ' HIS . 1.0 OUTLIER -68.47 -45.38 72.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.684 179.703 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.428 ' CB ' HD12 ' B' ' 10' ' ' ILE . 9.9 ttmt -70.87 -25.95 63.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.619 179.697 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -72.61 -32.17 65.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.571 179.707 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 13.1 m -64.21 -26.48 68.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.745 179.78 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.457 ' CG ' ' CD ' ' B' ' 3' ' ' LYS . 0.6 OUTLIER -83.48 -25.57 31.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.893 179.889 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.415 ' O ' ' N ' ' A' ' 41' ' ' ASP . 29.5 t70 -83.02 -23.6 33.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.031 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -48.99 92.41 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.001 179.975 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 39' ' ' ASP . 3.9 p30 . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.938 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.859 0.361 . . . . 0.0 111.061 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -155.3 -79.28 0.09 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 179.952 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . 0.457 ' CD ' ' CG ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER 63.75 144.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.932 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.93 -49.3 2.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.842 -179.952 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . 0.412 ' HA ' ' ND2' ' B' ' 8' ' ' ASN . 2.5 p-80 -52.67 -45.33 66.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.592 179.844 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . 0.444 ' CD2' HD21 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -64.42 -51.91 60.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.586 179.86 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -56.21 -20.65 19.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.785 179.376 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . 0.412 ' ND2' ' HA ' ' B' ' 5' ' ' HIS . 47.9 m-20 -73.2 -60.7 2.12 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 120.806 0.336 . . . . 0.0 110.506 179.727 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.468 ' O ' ' CD2' ' B' ' 13' ' ' HIS . 32.3 mt-10 -71.27 -8.78 55.95 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.793 179.001 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.428 HD12 ' CB ' ' A' ' 35' ' ' LYS . 67.6 mt -91.5 -30.21 4.76 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.006 179.904 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.22 -29.29 48.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.756 179.017 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.526 ' CD2' ' ND1' ' B' ' 13' ' ' HIS . 0.7 OUTLIER -78.31 -51.76 9.64 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.424 179.064 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . 0.526 ' ND1' ' CD2' ' B' ' 12' ' ' HIS . 19.0 m-70 -63.89 -28.38 69.8 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 178.841 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.1 -50.35 66.43 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.425 179.746 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 3.3 mtpm? -57.63 -32.37 67.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.08 179.369 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.443 ' HB3' ' CE1' ' A' ' 27' ' ' HIS . 0.1 OUTLIER -64.87 -51.77 60.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.982 179.716 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -61.84 -22.4 28.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.907 -179.962 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -76.03 -37.41 58.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.468 179.835 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -65.43 -51.53 59.62 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.143 179.437 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.434 ' CB ' HG21 ' A' ' 24' ' ' ILE . 4.4 mt -59.91 -43.12 95.07 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.681 179.184 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . 0.448 ' NE2' ' NE2' ' A' ' 21' ' ' GLN . 0.4 OUTLIER -60.93 -28.98 69.34 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.36 179.413 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 5.0 ttpt -63.1 -47.98 80.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.973 179.435 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -59.47 -49.06 79.25 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.734 179.554 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . 0.421 HG21 ' CB ' ' A' ' 20' ' ' LEU . 0.6 OUTLIER -60.75 -26.83 39.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.854 179.618 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -68.82 -35.68 77.28 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.024 179.507 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 11.3 ttt180 -62.05 -48.39 80.46 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.683 179.074 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . 0.481 ' CE1' ' HB3' ' A' ' 16' ' ' GLU . 0.2 OUTLIER -66.26 -27.94 68.33 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.838 178.864 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.444 ' HA ' ' CG2' ' B' ' 31' ' ' ILE . 1.9 ttmt -77.64 -19.3 55.67 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.774 179.456 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . 0.421 ' HA ' ' CD ' ' B' ' 32' ' ' LYS . 9.6 tt0 -78.39 -41.79 32.16 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.545 179.768 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.63 -40.6 73.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.874 179.729 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . 0.447 ' HB ' ' HB3' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -73.74 -33.52 38.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.413 -179.838 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . 0.421 ' CD ' ' HA ' ' B' ' 29' ' ' GLN . 11.9 pttt -78.02 -24.47 47.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.807 0.337 . . . . 0.0 110.374 179.455 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 9.7 mtpt -73.68 -40.58 63.56 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.281 179.608 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.443 HD21 ' CD2' ' A' ' 6' ' ' HIS . 0.9 OUTLIER -68.55 -45.6 71.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.656 179.728 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . 0.427 ' CB ' HD12 ' A' ' 10' ' ' ILE . 9.8 ttmt -70.68 -25.94 63.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.674 179.673 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -72.56 -32.37 66.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.602 179.674 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 13.8 m -63.92 -26.52 68.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.685 179.749 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . 0.459 ' CG ' ' CD ' ' A' ' 3' ' ' LYS . 0.6 OUTLIER -83.51 -25.52 30.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 179.91 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . 0.409 ' O ' ' N ' ' B' ' 41' ' ' ASP . 29.6 t70 -83.12 -23.51 33.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.057 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -49.09 92.47 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.968 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' B' ' 39' ' ' ASP . 3.9 p30 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.958 179.967 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.825 0.345 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 174.36 93.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.422 ' CE ' ' HA ' ' B' ' 38' ' ' GLU . 0.1 OUTLIER -89.61 158.42 17.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.951 179.957 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.6 mmtt -104.78 -53.0 2.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.953 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -51.02 -39.6 56.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.709 179.909 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.411 ' CE1' HD22 ' B' ' 34' ' ' LEU . 0.0 OUTLIER -61.92 -54.29 43.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.548 179.792 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.64 -22.95 9.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.775 179.493 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -70.89 -60.29 2.32 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.543 179.821 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.465 ' O ' ' CD2' ' A' ' 13' ' ' HIS . 3.7 mp0 -71.1 -8.2 51.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.813 178.847 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.439 ' HA ' ' CD1' ' B' ' 31' ' ' ILE . 64.7 mt -91.01 -29.1 4.78 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.025 179.923 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.0 p -80.66 -29.17 36.66 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.736 179.03 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.528 ' CD2' ' ND1' ' A' ' 13' ' ' HIS . 0.7 OUTLIER -78.97 -48.45 14.46 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.796 179.345 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.528 ' ND1' ' CD2' ' A' ' 12' ' ' HIS . 14.8 m-70 -66.81 -27.11 67.29 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.085 179.029 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.448 ' N ' HD12 ' B' ' 31' ' ' ILE . . . -67.79 -49.65 61.19 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.351 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.0 mmtp -65.98 -22.44 66.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.177 179.075 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.519 ' CB ' ' CE1' ' B' ' 27' ' ' HIS . 3.6 mm-40 -76.08 -38.94 56.4 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.179 179.915 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.446 ' CG2' ' HB3' ' B' ' 27' ' ' HIS . 0.9 OUTLIER -72.74 -36.89 54.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-O 120.879 0.371 . . . . 0.0 110.933 -179.858 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -75.56 -26.71 58.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.388 179.527 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.6 ttt-85 -72.57 -45.74 57.74 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.704 179.776 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.425 ' HB2' ' CG2' ' B' ' 24' ' ' ILE . 1.2 mt -66.0 -37.48 86.03 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.903 0.383 . . . . 0.0 110.245 179.713 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -62.86 -38.5 91.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.426 179.557 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.5 ttpt -59.92 -48.92 79.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.351 179.545 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.63 -44.86 73.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.668 179.744 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.429 HG21 ' CB ' ' B' ' 20' ' ' LEU . 0.7 OUTLIER -61.53 -32.49 53.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 179.621 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.425 ' N ' HG13 ' A' ' 24' ' ' ILE . 1.2 tt0 -59.33 -44.7 92.59 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.139 179.46 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.1 ttp85 -60.84 -37.92 83.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.137 0.494 . . . . 0.0 109.99 179.234 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.516 ' CE1' ' CB ' ' B' ' 16' ' ' GLU . 0.2 OUTLIER -70.9 -23.38 62.27 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.594 179.623 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.471 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 0.0 OUTLIER -78.24 -27.75 47.68 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.946 0.403 . . . . 0.0 110.539 179.805 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.403 ' N ' ' HG3' ' A' ' 28' ' ' LYS . 16.7 tt0 -72.69 -43.68 62.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.254 179.479 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 86.7 p -66.37 -47.7 72.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.748 179.683 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.471 ' CG2' ' HA ' ' A' ' 28' ' ' LYS . 5.9 tp -69.8 -24.62 26.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.092 179.884 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.413 ' CB ' ' O ' ' A' ' 28' ' ' LYS . 6.8 ttmt -78.94 -25.62 43.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.757 179.769 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.6 mtmt -77.01 -43.15 35.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.535 179.711 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.419 ' HB3' ' CG1' ' B' ' 10' ' ' ILE . 1.6 mt -69.84 -35.11 74.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.692 179.782 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.433 ' CG ' HG22 ' B' ' 10' ' ' ILE . 12.7 mttm -73.99 -36.16 64.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.655 179.795 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -69.85 -28.47 65.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.692 179.922 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.7 m -69.51 -26.08 64.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 179.885 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.423 ' HA ' ' CE ' ' B' ' 3' ' ' LYS . 2.3 tt0 -83.94 -25.7 29.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 179.961 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.12 -23.71 26.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.031 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.82 100.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.992 -179.926 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.897 -179.979 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.855 0.36 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 174.45 94.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . 0.423 ' CE ' ' HA ' ' A' ' 38' ' ' GLU . 0.1 OUTLIER -89.61 158.34 17.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.946 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 3.6 mmtt -104.76 -53.07 2.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.939 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -50.89 -39.68 54.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.754 179.852 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . 0.408 ' CE1' HD22 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -61.95 -54.23 44.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.532 179.868 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.67 -22.96 9.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.762 179.494 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -70.82 -60.34 2.3 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.56 179.779 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.47 ' O ' ' CD2' ' B' ' 13' ' ' HIS . 3.6 mp0 -71.14 -8.13 51.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.791 178.887 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.433 ' HA ' ' CD1' ' A' ' 31' ' ' ILE . 64.7 mt -90.98 -29.18 4.79 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 CA-C-O 121.063 0.458 . . . . 0.0 110.016 179.912 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 12.1 p -80.59 -29.16 36.93 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.771 179.053 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.528 ' CD2' ' ND1' ' B' ' 13' ' ' HIS . 0.7 OUTLIER -79.0 -48.48 14.37 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.806 179.343 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . 0.528 ' ND1' ' CD2' ' B' ' 12' ' ' HIS . 14.8 m-70 -66.74 -27.2 67.42 Favored 'General case' 0 CA--C 1.521 -0.169 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.027 179.008 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . 0.445 ' N ' HD12 ' A' ' 31' ' ' ILE . . . -67.72 -49.66 61.46 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.422 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 3.0 mmtp -65.97 -22.42 66.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.249 178.981 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.516 ' CB ' ' CE1' ' A' ' 27' ' ' HIS . 3.6 mm-40 -76.05 -39.07 56.34 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.154 179.9 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.445 ' CG2' HG23 ' A' ' 31' ' ' ILE . 0.9 OUTLIER -72.57 -37.05 55.62 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 CA-C-O 120.851 0.357 . . . . 0.0 110.925 -179.845 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -75.45 -26.76 58.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.414 179.555 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 10.6 ttt-85 -72.61 -45.7 57.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.688 179.777 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.429 ' CB ' HG21 ' A' ' 24' ' ' ILE . 1.2 mt -65.93 -37.59 86.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.967 0.413 . . . . 0.0 110.26 179.667 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -62.82 -38.43 90.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.421 179.596 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 2.5 ttpt -60.02 -48.85 80.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.364 179.588 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.66 -44.82 73.62 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.669 179.648 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . 0.425 ' CG2' ' HB2' ' A' ' 20' ' ' LEU . 0.7 OUTLIER -61.6 -32.45 53.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 179.658 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . 0.427 ' O ' ' CG ' ' B' ' 28' ' ' LYS . 1.2 tt0 -59.35 -44.7 92.62 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.163 179.439 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 13.1 ttp85 -60.89 -37.94 83.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.956 179.234 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . 0.519 ' CE1' ' CB ' ' A' ' 16' ' ' GLU . 0.2 OUTLIER -70.82 -23.4 62.35 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.622 179.576 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.465 ' HA ' ' CG2' ' B' ' 31' ' ' ILE . 0.0 OUTLIER -78.24 -27.74 47.68 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.916 0.388 . . . . 0.0 110.543 179.805 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -72.68 -43.75 62.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.233 179.478 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 86.5 p -66.36 -47.58 72.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.783 179.673 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . 0.465 ' CG2' ' HA ' ' B' ' 28' ' ' LYS . 5.9 tp -69.89 -24.61 26.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.032 179.883 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . 0.406 ' CB ' ' O ' ' B' ' 28' ' ' LYS . 6.8 ttmt -78.91 -25.65 43.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.716 179.763 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 3.6 mtmt -76.96 -43.17 36.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.565 179.753 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.419 ' HB3' ' CG1' ' A' ' 10' ' ' ILE . 1.6 mt -69.84 -35.08 74.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.729 179.754 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . 0.419 ' CG ' HG22 ' A' ' 10' ' ' ILE . 12.7 mttm -73.97 -36.18 64.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.715 179.737 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -69.8 -28.53 65.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.723 179.897 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 19.9 m -69.52 -26.0 64.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 179.879 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . 0.422 ' HA ' ' CE ' ' A' ' 3' ' ' LYS . 2.3 tt0 -83.96 -25.73 29.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 179.966 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.2 -23.64 26.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.992 -179.923 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.87 100.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.999 -179.942 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.309 -0.853 . . . . 0.0 110.863 -179.987 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.782 0.325 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 mp -145.15 -49.42 0.24 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.9 mptt -102.31 171.45 7.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.986 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.34 -51.48 1.97 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.565 ' CE1' ' CE1' ' A' ' 6' ' ' HIS . 0.3 OUTLIER -50.25 -32.81 17.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.812 179.934 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.565 ' CE1' ' CE1' ' A' ' 5' ' ' HIS . 1.4 m-70 -62.71 -57.28 11.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.322 179.769 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -50.79 -24.76 3.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.752 179.344 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.413 ' ND2' ' HA ' ' A' ' 5' ' ' HIS . 2.2 m-20 -68.31 -60.6 2.34 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.595 179.718 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.468 ' O ' ' CD2' ' A' ' 13' ' ' HIS . 1.3 mp0 -69.38 -9.85 55.32 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.827 178.976 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.431 ' HA ' ' CD1' ' B' ' 31' ' ' ILE . 76.1 mt -88.96 -28.58 5.23 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.162 179.918 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.83 -30.08 35.82 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.916 179.282 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.527 ' CD2' ' ND1' ' A' ' 13' ' ' HIS . 0.6 OUTLIER -78.53 -46.15 20.19 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.934 179.489 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.527 ' ND1' ' CD2' ' A' ' 12' ' ' HIS . 17.0 m-70 -70.28 -25.52 63.38 Favored 'General case' 0 C--O 1.226 -0.151 0 C-N-CA 120.678 -0.409 . . . . 0.0 110.196 179.018 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.442 ' N ' HD12 ' B' ' 31' ' ' ILE . . . -70.75 -44.77 66.08 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.604 -179.883 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 42.0 tttt -68.34 -28.27 67.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.079 0.466 . . . . 0.0 109.941 179.159 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.518 ' CB ' ' CE1' ' B' ' 27' ' ' HIS . 0.1 OUTLIER -69.21 -45.88 68.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.962 179.717 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.436 ' CG2' HG23 ' B' ' 31' ' ' ILE . 0.6 OUTLIER -65.49 -40.81 89.37 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 CA-C-O 120.983 0.42 . . . . 0.0 110.448 -179.957 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -66.21 -25.77 67.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.593 179.472 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.88 -48.52 58.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.118 -179.881 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.444 ' CB ' ' HB ' ' B' ' 24' ' ' ILE . 3.3 mm? -71.14 -25.43 62.57 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.805 0.336 . . . . 0.0 110.735 -179.929 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -77.49 -30.53 53.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.463 179.539 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.45 -42.22 71.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.257 179.493 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.426 ' HB3' ' CD1' ' B' ' 20' ' ' LEU . 0.4 OUTLIER -64.21 -46.99 81.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.639 179.6 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.448 ' HB ' ' CB ' ' B' ' 20' ' ' LEU . 0.0 OUTLIER -63.71 -27.83 43.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.227 179.527 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -63.75 -47.82 79.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.546 179.563 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -63.64 -40.82 97.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.478 179.656 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.526 ' CE1' ' CB ' ' B' ' 16' ' ' GLU . 0.2 OUTLIER -71.23 -19.66 62.34 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.62 179.399 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.455 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 13.6 ttmm -77.6 -33.52 53.79 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.42 179.655 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -71.81 -39.41 69.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.453 179.612 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.5 p -70.19 -43.73 70.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.049 179.79 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.455 ' CG2' ' HA ' ' A' ' 28' ' ' LYS . 5.2 tp -72.14 -24.53 22.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.047 179.933 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.32 -34.91 48.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.561 179.629 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.7 ttmt -72.57 -32.87 66.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.417 179.581 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.424 HD11 ' CD1' ' B' ' 10' ' ' ILE . 0.1 OUTLIER -70.54 -43.88 68.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.686 179.636 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 21.8 ttmt -72.31 -26.41 61.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.741 179.867 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -76.63 -28.64 56.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.758 179.856 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.44 -26.07 62.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.841 179.878 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.68 -26.08 54.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.963 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -124.35 26.93 7.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 63.47 172.42 0.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.973 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 33.3 p-10 . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.904 179.988 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.839 0.352 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 mp -145.1 -49.39 0.24 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.923 179.896 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 5.9 mptt -102.34 171.37 7.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 179.976 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.32 -51.43 1.97 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . 0.573 ' CE1' ' CE1' ' B' ' 6' ' ' HIS . 0.3 OUTLIER -50.18 -32.89 17.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.784 179.909 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . 0.573 ' CE1' ' CE1' ' B' ' 5' ' ' HIS . 1.4 m-70 -62.6 -57.28 11.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.39 179.756 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -50.76 -24.86 3.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.752 179.316 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . 0.418 ' ND2' ' HA ' ' B' ' 5' ' ' HIS . 2.2 m-20 -68.3 -60.51 2.4 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.576 179.792 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.469 ' O ' ' CD2' ' B' ' 13' ' ' HIS . 1.3 mp0 -69.38 -9.8 55.11 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.777 178.978 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.429 ' HA ' ' CD1' ' A' ' 31' ' ' ILE . 76.7 mt -88.9 -28.68 5.23 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 CA-C-O 121.016 0.436 . . . . 0.0 110.15 179.955 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.83 -30.04 35.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.945 179.298 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.527 ' CD2' ' ND1' ' B' ' 13' ' ' HIS . 0.6 OUTLIER -78.61 -46.03 20.24 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.898 179.55 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . 0.527 ' ND1' ' CD2' ' B' ' 12' ' ' HIS . 17.0 m-70 -70.25 -25.6 63.44 Favored 'General case' 0 C--O 1.225 -0.208 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.26 178.942 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . 0.436 ' N ' HD12 ' A' ' 31' ' ' ILE . . . -70.88 -44.54 66.1 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.616 -179.822 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 41.7 tttt -68.49 -28.2 66.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.024 0.44 . . . . 0.0 109.961 179.161 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.526 ' CB ' ' CE1' ' A' ' 27' ' ' HIS . 0.1 OUTLIER -69.23 -46.05 68.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.949 179.717 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.438 ' CG2' ' HB3' ' A' ' 27' ' ' HIS . 0.6 OUTLIER -65.34 -40.79 89.59 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.175 0 CA-C-O 121.001 0.429 . . . . 0.0 110.427 -179.978 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -66.32 -25.72 66.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.617 179.476 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.84 -48.42 58.99 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.16 -179.998 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.448 ' CB ' ' HB ' ' A' ' 24' ' ' ILE . 3.2 mm? -71.21 -25.42 62.5 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.841 0.353 . . . . 0.0 110.747 -179.92 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -77.49 -30.62 53.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.45 179.516 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.42 -42.28 71.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.207 179.485 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . 0.415 ' HB3' ' CD1' ' A' ' 20' ' ' LEU . 0.4 OUTLIER -64.23 -46.99 81.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.592 179.664 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . 0.444 ' HB ' ' CB ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -63.7 -27.71 43.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.861 0.362 . . . . 0.0 110.309 179.474 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -63.9 -47.73 79.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.472 179.553 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -63.64 -40.83 97.85 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.513 179.642 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . 0.518 ' CE1' ' CB ' ' A' ' 16' ' ' GLU . 0.2 OUTLIER -71.16 -19.82 62.37 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.574 179.378 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.45 ' HA ' ' CG2' ' B' ' 31' ' ' ILE . 13.6 ttmm -77.37 -33.55 55.23 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.498 179.682 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -71.8 -39.43 69.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.474 179.616 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 10.7 p -70.3 -43.46 70.32 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.006 179.843 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . 0.45 ' CG2' ' HA ' ' B' ' 28' ' ' LYS . 5.2 tp -72.38 -24.54 22.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.05 179.977 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.37 -34.96 47.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.543 179.604 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 26.8 ttmt -72.55 -32.94 66.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.391 179.57 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.429 HD11 ' CD1' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -70.55 -43.85 68.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.654 179.699 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 21.9 ttmt -72.34 -26.37 61.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.751 179.866 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -76.75 -28.49 55.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.705 179.884 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.58 -26.04 62.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.825 179.938 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.7 -26.01 54.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 179.947 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -124.36 26.94 7.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.952 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 63.44 172.42 0.16 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.978 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 33.3 p-10 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.933 179.968 . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.413 0 CA-C-O 120.811 0.338 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.3 tp -113.29 124.63 52.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.52 112.93 24.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.962 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -111.39 -49.82 2.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 6.9 p-80 -59.07 -28.68 66.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.963 -179.999 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.76 -43.03 73.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.918 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -66.01 -30.57 71.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.77 179.996 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 35.9 t30 -69.26 -45.96 68.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.281 179.622 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.47 -44.7 92.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.637 179.626 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.49 ' HA ' ' CD2' ' A' ' 13' ' ' HIS . 17.4 pt -70.22 -21.84 23.79 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.51 179.38 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.8 t -65.81 -40.38 91.83 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 178.568 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -72.23 -33.42 67.54 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.874 179.203 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.49 ' CD2' ' HA ' ' A' ' 10' ' ' ILE . 9.3 m-70 -66.75 -31.97 72.97 Favored 'General case' 0 C--O 1.225 -0.202 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.806 179.644 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.435 ' N ' HD12 ' B' ' 31' ' ' ILE . . . -69.27 -53.14 21.3 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 179.954 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.401 ' O ' ' CG ' ' A' ' 19' ' ' ARG . 2.7 mmtt -65.74 -15.23 62.64 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.296 178.724 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.478 ' HG2' ' CE1' ' B' ' 27' ' ' HIS . 16.7 tp10 -82.87 -37.75 23.88 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.942 179.792 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.434 ' CG2' HG23 ' B' ' 31' ' ' ILE . 1.0 OUTLIER -73.28 -37.62 52.22 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 CA-C-O 120.892 0.377 . . . . 0.0 110.706 179.814 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -75.05 -36.05 61.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.569 179.655 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.407 ' O ' ' CG ' ' A' ' 22' ' ' LYS . 1.1 mmm-85 -71.24 -32.98 69.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.716 179.835 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.417 ' O ' ' CG2' ' A' ' 24' ' ' ILE . 17.9 mt -70.18 -39.02 75.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.211 179.579 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.29 -45.23 94.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.939 179.846 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.407 ' CG ' ' O ' ' A' ' 19' ' ' ARG . 1.8 ptmt -63.82 -34.2 77.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.848 0.356 . . . . 0.0 110.737 179.945 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -67.27 -37.9 84.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.111 179.896 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.426 HG13 ' N ' ' A' ' 25' ' ' GLU . 0.5 OUTLIER -64.62 -40.5 89.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.11 0.481 . . . . 0.0 110.212 179.848 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.426 ' N ' HG13 ' A' ' 24' ' ' ILE . 7.9 tt0 -61.12 -41.5 96.82 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.52 179.627 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.4 ttt85 -57.49 -44.14 84.72 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.978 179.374 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.477 ' CE1' ' HG2' ' B' ' 16' ' ' GLU . 0.2 OUTLIER -69.13 -24.73 64.13 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.922 178.985 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.462 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 17.2 ttmt -73.09 -26.89 61.42 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.822 179.826 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -77.04 -42.5 38.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.456 179.694 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.06 -40.64 87.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.01 179.886 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.462 ' CG2' ' HA ' ' A' ' 28' ' ' LYS . 3.9 tp -71.34 -35.67 58.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 -179.924 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.428 ' HA ' ' CG ' ' A' ' 35' ' ' LYS . 6.5 ttpp -74.71 -20.63 59.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.975 179.751 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.7 tttp -81.53 -38.34 26.38 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.504 -179.591 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.474 ' CB ' ' CG2' ' B' ' 10' ' ' ILE . 9.8 mt -80.57 -24.38 39.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.814 0.34 . . . . 0.0 110.775 -179.974 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.428 ' CG ' ' HA ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -84.9 -30.23 24.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.571 179.641 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -79.99 -31.47 39.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.678 179.691 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.3 t -76.01 -26.49 56.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.738 179.906 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -74.18 -26.73 60.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.876 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -77.92 -25.42 48.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 179.902 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 67.51 161.52 0.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 179.919 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.938 -179.991 . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.866 0.365 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 3.3 tp -113.32 124.55 52.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 -179.992 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.48 113.06 24.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 -179.953 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -111.45 -49.79 2.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 179.986 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 6.8 p-80 -59.04 -28.79 66.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 179.981 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.76 -42.95 73.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.914 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -66.1 -30.51 71.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.781 -180.0 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 35.6 t30 -69.19 -46.09 68.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.359 179.537 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.45 -44.79 92.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.519 179.676 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.49 ' HA ' ' CD2' ' B' ' 13' ' ' HIS . 17.4 pt -70.16 -21.84 23.89 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 C-N-CA 120.804 -0.359 . . . . 0.0 110.563 179.417 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 2.8 t -65.78 -40.44 92.0 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 178.597 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -72.18 -33.51 67.73 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.875 179.235 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . 0.49 ' CD2' ' HA ' ' B' ' 10' ' ' ILE . 9.3 m-70 -66.65 -31.94 72.95 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.847 179.653 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . 0.435 ' N ' HD12 ' A' ' 31' ' ' ILE . . . -69.35 -53.09 21.28 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 179.962 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt -65.66 -15.42 62.76 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.319 178.686 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.477 ' HG2' ' CE1' ' A' ' 27' ' ' HIS . 16.7 tp10 -82.61 -37.89 24.36 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.957 179.776 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.435 ' CG2' ' O ' ' B' ' 13' ' ' HIS . 1.0 OUTLIER -73.36 -37.4 51.24 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 CA-C-O 120.931 0.396 . . . . 0.0 110.789 179.883 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -75.22 -35.56 61.46 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.604 179.603 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . 0.412 ' O ' ' CG ' ' B' ' 22' ' ' LYS . 1.1 mmm-85 -71.6 -33.15 68.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.686 179.844 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.427 ' O ' ' CG2' ' B' ' 24' ' ' ILE . 17.1 mt -70.38 -38.57 74.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.123 179.496 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.43 -46.29 90.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.78 179.669 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . 0.412 ' CG ' ' O ' ' B' ' 19' ' ' ARG . 1.8 ptmt -63.93 -34.18 77.4 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 180.0 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -67.15 -37.63 84.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.079 179.991 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . 0.429 HG13 ' N ' ' B' ' 25' ' ' GLU . 0.5 OUTLIER -65.0 -40.56 89.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.959 0.409 . . . . 0.0 110.074 179.899 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . 0.429 ' N ' HG13 ' B' ' 24' ' ' ILE . 7.9 tt0 -60.97 -41.55 96.61 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.541 179.661 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 1.4 ttt85 -57.58 -44.19 85.13 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.046 179.395 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . 0.478 ' CE1' ' HG2' ' A' ' 16' ' ' GLU . 0.2 OUTLIER -69.07 -24.68 64.19 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.86 178.976 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.478 ' HA ' ' CG2' ' B' ' 31' ' ' ILE . 17.3 ttmt -73.13 -26.9 61.4 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.828 179.867 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -77.0 -42.55 38.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.461 179.689 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.05 -40.5 87.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.046 179.877 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . 0.478 ' CG2' ' HA ' ' B' ' 28' ' ' LYS . 3.8 tp -71.33 -35.8 58.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . 0.422 ' HA ' ' CG ' ' B' ' 35' ' ' LYS . 6.5 ttpp -74.59 -20.67 59.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.073 179.763 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 14.7 tttp -81.47 -38.45 26.34 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.488 -179.602 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.469 ' CB ' ' CG2' ' A' ' 10' ' ' ILE . 9.8 mt -80.65 -24.21 39.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.771 0.32 . . . . 0.0 110.804 -179.949 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . 0.422 ' CG ' ' HA ' ' B' ' 32' ' ' LYS . 0.0 OUTLIER -84.95 -30.25 24.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.554 179.578 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -80.04 -31.44 39.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.64 179.745 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 2.3 t -76.02 -26.49 56.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.732 179.898 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -74.2 -26.76 60.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.816 179.961 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -77.83 -25.47 48.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.919 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 67.42 161.51 0.17 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.957 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.91 -179.97 . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.765 0.317 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -136.09 25.75 3.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.96 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.65 142.68 33.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 -179.992 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -98.33 -68.4 0.8 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.928 179.961 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -51.26 -40.73 59.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.955 0.407 . . . . 0.0 110.677 179.818 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.526 ' CD2' ' CD1' ' B' ' 34' ' ' LEU . 0.4 OUTLIER -61.94 -39.47 92.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.781 179.752 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.3 -29.35 68.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.568 179.829 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -65.02 -47.27 78.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.033 179.458 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.46 -54.62 44.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.392 179.507 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.485 ' HA ' ' CD2' ' A' ' 13' ' ' HIS . 18.6 pt -60.75 -24.11 31.19 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.407 179.329 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.27 -45.99 91.38 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 178.817 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.575 ' CD2' ' CE1' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -66.28 -33.88 76.75 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.663 179.073 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.575 ' CE1' ' CD2' ' A' ' 12' ' ' HIS . 10.2 m-70 -73.55 -18.13 61.11 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.121 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.54 -40.18 30.15 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-O 120.909 0.385 . . . . 0.0 110.662 -179.777 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.71 -25.08 49.1 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.423 179.249 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.29 -38.03 31.58 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.835 179.699 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.438 HG12 HD12 ' B' ' 24' ' ' ILE . 0.0 OUTLIER -76.03 -34.74 27.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.718 179.719 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -78.46 -27.79 46.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.882 0.372 . . . . 0.0 110.826 179.79 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.2 ttt85 -80.31 -34.64 36.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.35 -179.77 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.491 ' CB ' ' HB ' ' B' ' 24' ' ' ILE . 89.5 mt -79.73 -26.41 40.79 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 179.995 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.424 ' HB2' HG13 ' B' ' 24' ' ' ILE . 0.6 OUTLIER -75.0 -39.01 61.44 Favored 'General case' 0 C--N 1.333 -0.136 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 178.575 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.9 ttpt -61.94 -46.9 87.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.163 179.257 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.95 -51.57 69.48 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.506 179.57 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.491 ' HB ' ' CB ' ' B' ' 20' ' ' LEU . 0.0 OUTLIER -64.84 -19.0 24.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.927 179.516 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -71.17 -39.41 71.91 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.079 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.3 mtp180 -66.08 -49.2 68.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.221 179.259 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.427 ' O ' ' CG2' ' A' ' 31' ' ' ILE . 3.2 m-70 -66.43 -23.89 66.37 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.319 179.256 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.452 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 0.7 OUTLIER -78.22 -24.82 46.86 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.045 179.975 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -78.4 -38.18 42.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.481 179.725 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.22 -42.91 62.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.71 179.721 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.452 ' CG2' ' HA ' ' A' ' 28' ' ' LYS . 4.3 tp -73.23 -30.9 32.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.942 179.938 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.423 ' CB ' ' O ' ' A' ' 28' ' ' LYS . 3.5 ttpm? -79.56 -23.43 42.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.5 179.274 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.1 ttmt -75.69 -40.0 56.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.001 179.92 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.523 ' CD1' ' CD2' ' B' ' 6' ' ' HIS . 0.1 OUTLIER -77.97 -30.68 50.42 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.922 0.392 . . . . 0.0 110.397 179.722 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.7 ttmt -76.82 -29.43 55.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.66 179.748 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.419 ' O ' ' CA ' ' A' ' 40' ' ' ASP . 73.3 mt-30 -85.22 -28.45 25.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.613 179.786 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 21.7 m -83.96 -25.06 30.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.671 179.665 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -81.35 -25.53 36.28 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.73 179.916 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -140.84 36.71 1.78 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.978 -179.971 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.419 ' CA ' ' O ' ' A' ' 36' ' ' GLN . 1.8 t0 -50.87 145.13 7.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.875 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.882 -179.991 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.836 0.35 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -136.14 25.65 3.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 -179.968 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.59 142.62 33.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.985 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -98.17 -68.56 0.8 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.928 179.95 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -51.3 -40.71 59.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.594 179.912 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . 0.523 ' CD2' ' CD1' ' A' ' 34' ' ' LEU . 0.4 OUTLIER -62.01 -39.43 92.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.741 179.89 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.28 -29.39 68.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.612 179.798 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -64.91 -47.27 78.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.044 179.423 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.44 -54.75 43.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.348 179.541 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.484 ' HA ' ' CD2' ' B' ' 13' ' ' HIS . 18.6 pt -60.7 -24.08 30.93 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.4 179.369 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.16 -46.08 90.89 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 178.746 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.579 ' CD2' ' CE1' ' B' ' 13' ' ' HIS . 0.0 OUTLIER -66.21 -33.87 76.73 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 115.762 -0.653 . . . . 0.0 109.686 179.103 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . 0.579 ' CE1' ' CD2' ' B' ' 12' ' ' HIS . 10.1 m-70 -73.55 -18.13 61.11 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.088 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.54 -39.93 30.73 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-O 120.922 0.391 . . . . 0.0 110.612 -179.756 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.78 -25.05 48.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.389 179.305 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.32 -37.92 31.65 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.809 179.716 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.446 HG22 HD11 ' B' ' 17' ' ' ILE . 0.0 OUTLIER -76.23 -34.74 26.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.88 0.371 . . . . 0.0 110.69 179.831 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -78.5 -27.82 46.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.898 0.38 . . . . 0.0 110.888 179.785 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 15.2 ttt85 -80.24 -34.66 36.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.36 -179.828 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.491 ' CB ' ' HB ' ' A' ' 24' ' ' ILE . 90.9 mt -79.49 -27.07 41.5 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 110.097 -0.335 . . . . 0.0 110.097 -179.974 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . 0.435 ' HB2' HG13 ' A' ' 24' ' ' ILE . 0.6 OUTLIER -74.53 -39.0 62.63 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 178.662 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 19.9 ttpt -61.9 -46.74 88.05 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.107 179.363 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.26 -51.53 69.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.533 179.576 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . 0.491 ' HB ' ' CB ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -64.93 -18.87 24.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.935 179.581 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -71.1 -39.58 72.01 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 178.997 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 19.4 mtp180 -66.06 -48.8 69.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.327 179.278 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . 0.433 ' O ' ' CG2' ' B' ' 31' ' ' ILE . 3.0 m-70 -66.68 -24.0 66.21 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.215 179.24 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.458 ' HA ' ' CG2' ' B' ' 31' ' ' ILE . 0.7 OUTLIER -78.04 -24.86 47.63 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.099 179.933 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -78.55 -37.93 41.65 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.53 179.722 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.34 -42.71 61.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.794 179.622 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . 0.458 ' CG2' ' HA ' ' B' ' 28' ' ' LYS . 4.3 tp -73.5 -30.96 31.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.839 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . 0.427 ' CB ' ' O ' ' B' ' 28' ' ' LYS . 3.5 ttpm? -79.52 -23.57 42.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.439 179.366 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 4.1 ttmt -75.58 -40.15 57.01 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.992 179.979 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.526 ' CD1' ' CD2' ' A' ' 6' ' ' HIS . 0.1 OUTLIER -77.86 -30.72 51.07 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.903 0.382 . . . . 0.0 110.448 179.708 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 9.7 ttmt -76.7 -29.42 56.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.671 179.703 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . 0.418 ' O ' ' CA ' ' B' ' 40' ' ' ASP . 73.0 mt-30 -85.29 -28.42 25.31 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.61 179.792 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 22.2 m -84.11 -24.93 30.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.687 179.684 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -81.27 -25.65 36.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.77 179.811 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -140.85 36.71 1.78 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.011 -179.939 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . 0.418 ' CA ' ' O ' ' B' ' 36' ' ' GLN . 1.8 t0 -50.84 145.21 7.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.915 179.998 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.249 -0.881 . . . . 0.0 110.914 179.988 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.841 0.353 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.437 ' CD1' ' N ' ' A' ' 2' ' ' LEU . 4.1 mp -83.67 153.2 24.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 -179.984 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.07 25.05 11.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.965 179.95 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.8 mtmt -80.24 -34.96 36.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.843 179.921 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -57.62 -23.7 52.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.974 179.956 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -67.04 -54.81 18.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.968 -179.99 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.09 -25.4 65.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.865 -179.938 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -71.4 -47.51 55.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.565 179.744 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.472 ' HG3' ' CE1' ' A' ' 13' ' ' HIS . 4.2 tp10 -60.57 -41.96 95.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.742 179.736 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.489 ' HA ' ' CD2' ' A' ' 13' ' ' HIS . 11.2 pt -70.89 -24.83 25.08 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 CA-C-O 120.898 0.38 . . . . 0.0 110.543 179.534 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.8 t -64.78 -40.63 95.56 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.126 0.489 . . . . 0.0 109.748 178.79 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -72.18 -33.48 67.71 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.159 179.42 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.489 ' CD2' ' HA ' ' A' ' 10' ' ' ILE . 8.9 m-70 -67.89 -30.4 69.75 Favored 'General case' 0 C--O 1.224 -0.241 0 C-N-CA 121.029 -0.269 . . . . 0.0 110.573 179.363 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.427 ' N ' HD12 ' B' ' 31' ' ' ILE . . . -69.4 -53.36 19.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.837 0.351 . . . . 0.0 110.265 -179.774 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.57 -21.65 66.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.104 178.813 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.526 ' CB ' ' CE1' ' B' ' 27' ' ' HIS . 2.5 mm-40 -74.86 -42.44 57.9 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.082 179.759 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.435 ' CG2' ' O ' ' A' ' 13' ' ' HIS . 0.7 OUTLIER -67.84 -40.83 84.3 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 CA-C-O 120.91 0.386 . . . . 0.0 110.528 -179.994 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.404 ' N ' HD13 ' A' ' 17' ' ' ILE . 2.1 mt-10 -70.62 -26.79 63.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.777 179.582 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.8 mtp85 -75.91 -34.92 59.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.017 -179.96 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.429 ' CB ' ' HB ' ' B' ' 24' ' ' ILE . 3.5 mm? -70.86 -36.38 72.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.865 0.364 . . . . 0.0 110.374 179.722 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.428 ' CG ' HD11 ' B' ' 24' ' ' ILE . 0.0 OUTLIER -67.17 -45.86 75.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.506 179.466 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -32.42 72.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.428 179.619 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -65.64 -48.99 70.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.704 179.879 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.443 ' HB ' ' CB ' ' B' ' 20' ' ' LEU . 5.7 tt -64.05 -23.01 32.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.715 0.293 . . . . 0.0 110.545 179.425 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -68.03 -48.86 64.5 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.38 179.584 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.0 -36.8 84.27 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.572 179.646 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.518 ' CE1' ' CB ' ' B' ' 16' ' ' GLU . 0.2 OUTLIER -73.58 -22.33 60.08 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.337 179.417 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.457 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 0.2 OUTLIER -76.11 -32.45 59.19 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.584 179.765 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.64 -41.43 65.5 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.425 179.595 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.57 -41.99 78.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.246 179.917 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.457 ' CD1' ' O ' ' B' ' 10' ' ' ILE . 4.2 tp -73.04 -27.55 24.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.089 -179.761 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.429 ' HE3' ' CE ' ' A' ' 28' ' ' LYS . 10.8 mttt -80.19 -22.73 41.58 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.783 179.624 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.7 mmtt -80.68 -40.48 25.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.444 -179.779 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.461 ' CB ' ' CG2' ' B' ' 10' ' ' ILE . 8.0 mt -81.61 -24.85 36.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.857 0.361 . . . . 0.0 110.558 179.794 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.3 ttmm -83.99 -27.01 28.72 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.494 179.459 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.408 ' CG ' ' O ' ' A' ' 32' ' ' LYS . 29.0 mt-30 -81.83 -33.9 30.49 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.663 179.642 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.15 -28.99 57.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.825 179.824 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.08 -28.81 60.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.805 179.913 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -71.46 -27.25 63.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.838 -179.977 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 68.67 178.59 0.25 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.955 -179.986 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.258 -0.877 . . . . 0.0 110.943 179.985 . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.81 0.338 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . 0.428 ' N ' ' CD1' ' B' ' 2' ' ' LEU . 4.1 mp -83.51 153.25 24.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.947 179.975 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.11 24.98 11.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.009 179.908 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 2.8 mtmt -80.18 -35.11 36.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.818 179.961 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -57.47 -23.69 51.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.974 179.971 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -67.09 -55.02 16.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.945 -179.927 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.78 -25.53 64.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.924 179.976 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -71.33 -47.67 55.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.518 179.774 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.475 ' HG3' ' CE1' ' B' ' 13' ' ' HIS . 4.2 tp10 -60.46 -41.89 95.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.667 179.801 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.49 ' HA ' ' CD2' ' B' ' 13' ' ' HIS . 11.2 pt -71.01 -24.83 24.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 CA-C-O 120.909 0.385 . . . . 0.0 110.471 179.623 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 1.8 t -64.79 -40.26 94.95 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 178.864 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -72.59 -33.26 66.6 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.09 179.444 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . 0.49 ' CD2' ' HA ' ' B' ' 10' ' ' ILE . 9.0 m-70 -68.12 -30.14 69.22 Favored 'General case' 0 C--O 1.225 -0.212 0 C-N-CA 120.978 -0.289 . . . . 0.0 110.616 179.429 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . 0.42 ' N ' HD12 ' A' ' 31' ' ' ILE . . . -69.98 -53.27 18.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.788 0.328 . . . . 0.0 110.231 -179.866 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.42 -22.1 66.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.162 178.823 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.518 ' CB ' ' CE1' ' A' ' 27' ' ' HIS . 2.4 mm-40 -74.33 -43.06 58.27 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.064 179.793 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.435 ' CG2' HG23 ' A' ' 31' ' ' ILE . 0.7 OUTLIER -67.35 -40.93 85.76 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 CA-C-O 120.817 0.342 . . . . 0.0 110.57 -179.994 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.41 ' N ' HD13 ' B' ' 17' ' ' ILE . 2.0 mt-10 -70.33 -26.64 63.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.785 179.598 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 12.2 mtp85 -76.11 -34.77 59.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.076 -179.986 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.443 ' CB ' ' HB ' ' A' ' 24' ' ' ILE . 3.5 mm? -71.02 -36.07 72.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.883 0.373 . . . . 0.0 110.38 179.776 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . 0.426 ' CG ' HD11 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -67.4 -45.73 75.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.474 179.524 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.07 -32.23 72.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.375 179.594 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -65.49 -49.27 69.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.739 179.802 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . 0.429 ' HB ' ' CB ' ' A' ' 20' ' ' LEU . 5.6 tt -64.09 -23.28 32.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.699 0.285 . . . . 0.0 110.431 179.539 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -67.48 -48.62 66.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.94 0.4 . . . . 0.0 110.408 179.466 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.34 -36.43 82.9 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.551 179.593 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . 0.526 ' CE1' ' CB ' ' A' ' 16' ' ' GLU . 0.2 OUTLIER -74.31 -20.99 59.92 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.317 179.438 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.47 ' HA ' ' CG2' ' B' ' 31' ' ' ILE . 0.2 OUTLIER -77.54 -32.69 54.1 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.491 179.706 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.44 -42.41 65.07 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.3 179.577 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.35 -43.9 80.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.001 179.816 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . 0.47 ' CG2' ' HA ' ' B' ' 28' ' ' LYS . 4.8 tp -70.79 -28.15 32.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.382 -179.776 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . 0.425 ' HE3' ' CE ' ' B' ' 28' ' ' LYS . 11.0 mttt -79.97 -22.28 42.76 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.932 179.74 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 3.8 mmtt -81.0 -39.88 25.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.451 -179.732 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.466 ' CB ' ' CG2' ' A' ' 10' ' ' ILE . 8.3 mt -82.09 -24.86 34.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.86 0.362 . . . . 0.0 110.529 179.805 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 1.3 ttmm -83.93 -27.34 28.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.429 179.474 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . 0.42 ' CG ' ' O ' ' B' ' 32' ' ' LYS . 29.1 mt-30 -81.57 -34.23 31.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.571 179.72 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.84 -29.09 58.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.801 179.856 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.17 -28.75 60.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.755 -179.993 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -71.44 -27.35 63.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 179.985 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 68.83 178.51 0.25 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 179.88 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.272 -0.871 . . . . 0.0 110.934 179.995 . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.303 0 CA-C-O 120.859 0.362 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -134.06 88.45 2.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.946 179.984 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.29 -79.22 0.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.982 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.413 ' O ' ' CG ' ' A' ' 7' ' ' GLU . 0.0 OUTLIER 76.81 -79.12 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.022 179.951 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -46.9 -29.38 1.98 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.988 0.423 . . . . 0.0 110.761 179.927 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.421 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -68.58 -49.39 59.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.478 179.629 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.413 ' CG ' ' O ' ' A' ' 4' ' ' LYS . 0.3 OUTLIER -58.52 -22.82 56.52 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.558 179.422 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -71.74 -59.59 2.67 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.507 179.671 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.463 ' O ' ' CD2' ' A' ' 13' ' ' HIS . 1.4 mt-10 -71.51 -8.65 55.25 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.735 178.852 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.421 ' CG1' ' O ' ' A' ' 6' ' ' HIS . 51.4 mt -90.79 -29.5 4.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.044 179.932 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.5 p -79.53 -31.1 42.05 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 179.008 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.514 ' CD2' ' ND1' ' A' ' 13' ' ' HIS . 0.5 OUTLIER -76.84 -49.33 16.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.741 179.384 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.514 ' ND1' ' CD2' ' A' ' 12' ' ' HIS . 12.8 m-70 -65.22 -27.02 68.39 Favored 'General case' 0 CA--C 1.519 -0.231 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.06 179.006 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.431 ' N ' HD12 ' B' ' 31' ' ' ILE . . . -66.44 -50.34 63.69 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.717 -179.811 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.03 -27.57 68.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.998 0.428 . . . . 0.0 110.297 179.469 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.509 ' CB ' ' CE1' ' B' ' 27' ' ' HIS . 0.1 OUTLIER -70.3 -41.55 73.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.292 -179.886 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.438 ' CG2' HG23 ' B' ' 31' ' ' ILE . 1.0 OUTLIER -67.55 -36.66 76.93 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-O 121.05 0.452 . . . . 0.0 110.671 -179.769 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.424 ' N ' HG13 ' A' ' 17' ' ' ILE . 6.5 mm-40 -69.86 -28.94 66.07 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.563 179.529 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.46 -42.85 67.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.581 -179.688 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.475 ' CB ' ' HB ' ' B' ' 24' ' ' ILE . 3.4 mm? -73.43 -28.5 62.01 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 120.736 0.303 . . . . 0.0 110.55 -179.755 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.437 ' HA ' ' CG2' ' A' ' 24' ' ' ILE . 1.0 OUTLIER -75.16 -27.82 59.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.473 179.338 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.62 -32.16 53.27 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.015 179.446 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.422 ' CB ' ' HG ' ' B' ' 20' ' ' LEU . 3.3 mm-40 -71.69 -46.41 58.88 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.592 179.472 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.484 ' CD1' ' HB ' ' B' ' 17' ' ' ILE . 0.1 OUTLIER -62.9 -36.69 76.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.941 0.401 . . . . 0.0 110.023 179.325 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -62.51 -47.56 83.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.32 179.676 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -64.82 -36.67 85.08 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 120.881 0.372 . . . . 0.0 111.472 -179.521 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.506 ' CE1' ' CB ' ' B' ' 16' ' ' GLU . 0.2 OUTLIER -74.43 -22.57 59.07 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.713 -179.985 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.445 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 7.1 ttmt -76.6 -32.53 58.16 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.434 179.62 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -72.63 -40.41 66.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.58 179.597 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 92.6 p -70.51 -40.83 73.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.276 -179.969 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.463 ' CD1' ' HB2' ' B' ' 13' ' ' HIS . 5.7 tp -74.82 -25.24 18.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.914 -179.966 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.1 ttpt -79.41 -31.76 42.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.654 179.716 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.7 mttt -74.83 -36.55 62.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.643 179.756 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.1 mt -73.28 -38.01 66.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.825 179.787 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.5 ttmm -74.08 -30.84 62.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.812 179.9 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -74.64 -31.22 61.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.79 179.86 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.22 -27.19 64.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.757 179.905 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -67.98 -30.18 69.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.913 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -82.36 -25.54 33.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.858 179.965 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 70.02 135.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.947 -179.969 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.228 -0.891 . . . . 0.0 110.881 179.961 . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.825 0.345 . . . . 0.0 111.089 . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -134.02 88.42 2.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.947 179.935 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.08 -79.23 0.54 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.963 179.952 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . 0.417 ' O ' ' CG ' ' B' ' 7' ' ' GLU . 0.0 OUTLIER 76.75 -79.09 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.035 179.956 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -46.93 -29.32 1.97 Allowed 'General case' 0 C--O 1.233 0.185 0 CA-C-O 121.02 0.438 . . . . 0.0 110.771 179.902 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . 0.423 ' O ' ' CG1' ' B' ' 10' ' ' ILE . 0.1 OUTLIER -68.66 -49.27 60.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.524 179.547 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . 0.417 ' CG ' ' O ' ' B' ' 4' ' ' LYS . 0.3 OUTLIER -58.61 -22.82 57.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.563 179.33 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -71.66 -59.56 2.69 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.46 179.657 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.472 ' O ' ' CD2' ' B' ' 13' ' ' HIS . 1.4 mt-10 -71.83 -8.31 53.52 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.669 178.92 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.425 ' O ' ' CD1' ' A' ' 31' ' ' ILE . 51.9 mt -91.07 -29.44 4.79 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.048 179.872 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 8.5 p -79.73 -31.33 41.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.609 179.005 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.522 ' CD2' ' ND1' ' B' ' 13' ' ' HIS . 0.5 OUTLIER -76.55 -49.89 15.29 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.638 179.213 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . 0.522 ' ND1' ' CD2' ' B' ' 12' ' ' HIS . 12.2 m-70 -64.36 -27.57 69.1 Favored 'General case' 0 C--O 1.223 -0.32 0 C-N-CA 120.631 -0.428 . . . . 0.0 109.966 178.927 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . 0.425 ' N ' HD12 ' A' ' 31' ' ' ILE . . . -65.57 -50.77 63.91 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.952 -179.803 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.98 -27.95 69.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.04 0.448 . . . . 0.0 110.372 179.612 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.506 ' CB ' ' CE1' ' A' ' 27' ' ' HIS . 0.2 OUTLIER -70.38 -40.73 73.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.414 -179.914 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.484 ' HB ' ' CD1' ' A' ' 24' ' ' ILE . 1.0 OUTLIER -68.24 -35.67 72.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.849 0.357 . . . . 0.0 110.883 -179.472 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.435 ' N ' HG13 ' B' ' 17' ' ' ILE . 6.3 mm-40 -71.16 -29.2 64.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.607 179.675 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.52 -42.45 71.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.377 -179.852 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.422 ' HG ' ' CB ' ' A' ' 23' ' ' GLU . 3.2 mm? -71.34 -31.45 67.39 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.818 0.342 . . . . 0.0 110.851 -179.731 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . 0.422 ' CG ' HG12 ' A' ' 24' ' ' ILE . 1.1 tt0 -73.58 -32.39 64.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.584 179.832 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.73 -31.72 63.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.459 179.664 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -71.52 -46.05 60.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.043 -179.982 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . 0.475 ' HB ' ' CB ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -67.73 -30.44 48.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.487 179.818 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -65.02 -43.78 91.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.395 179.513 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -68.17 -36.13 79.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.764 179.781 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . 0.509 ' CE1' ' CB ' ' A' ' 16' ' ' GLU . 0.2 OUTLIER -74.95 -20.57 59.62 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.695 179.693 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.454 ' HA ' ' CG2' ' B' ' 31' ' ' ILE . 6.6 ttmt -78.74 -33.87 46.24 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.906 0.384 . . . . 0.0 110.425 179.625 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -71.5 -40.44 70.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.473 179.49 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 88.2 p -69.71 -43.73 71.78 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.989 179.798 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . 0.46 ' CD1' ' HB2' ' A' ' 13' ' ' HIS . 6.1 tp -72.1 -24.31 22.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.192 179.988 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 24.9 ttpt -80.61 -31.96 36.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.759 179.834 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 18.1 mttt -74.89 -35.64 62.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.648 179.807 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.1 mt -73.83 -38.59 64.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.752 179.833 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 6.5 ttmm -73.81 -30.59 62.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.771 179.948 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -74.71 -31.81 61.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.802 179.857 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.68 -27.21 64.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.829 179.872 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -67.92 -30.08 69.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 179.875 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -82.36 -25.51 33.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.969 179.928 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 70.04 135.36 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.939 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.215 -0.898 . . . . 0.0 110.911 179.994 . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.855 0.36 . . . . 0.0 111.08 . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.424 HD13 ' N ' ' A' ' 2' ' ' LEU . 0.3 OUTLIER -148.16 -166.56 2.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.939 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 20.1 mtmm -50.5 141.92 11.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -91.85 -25.01 19.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.985 179.966 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 -78.76 -38.94 37.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.681 179.73 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -72.38 -36.32 68.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.874 179.86 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -69.52 -35.69 75.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.444 179.715 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -64.12 -45.42 88.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.201 179.536 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -59.72 -50.79 72.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.308 179.514 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.477 ' CG2' ' CG ' ' B' ' 34' ' ' LEU . 12.5 pt -70.01 -11.58 15.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.623 179.007 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.68 -38.97 67.43 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 178.092 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.449 ' CE1' ' OE2' ' A' ' 16' ' ' GLU . 0.2 OUTLIER -73.36 -41.17 63.75 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 115.492 -0.777 . . . . 0.0 109.698 178.792 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.439 ' HB2' ' CD1' ' B' ' 31' ' ' ILE . 10.0 m-70 -62.33 -32.43 73.19 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-O 120.647 0.261 . . . . 0.0 110.442 179.257 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.27 -54.4 29.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.105 -179.999 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.16 -21.4 59.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.319 178.959 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.473 ' HB3' ' CE1' ' B' ' 27' ' ' HIS . 0.1 OUTLIER -76.88 -42.82 38.33 Favored 'General case' 0 CA--C 1.527 0.091 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.333 -179.933 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.434 ' CG2' ' HB3' ' B' ' 27' ' ' HIS . 1.1 pp -71.07 -27.78 30.9 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 CA-C-O 120.905 0.383 . . . . 0.0 110.888 -179.83 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.59 -38.98 58.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.363 179.591 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 43.2 ttt-85 -65.57 -45.46 83.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.409 179.532 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.432 ' HB3' ' CG2' ' B' ' 24' ' ' ILE . 0.0 OUTLIER -61.46 -43.62 98.54 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.901 179.295 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.439 ' CG ' ' CD1' ' B' ' 24' ' ' ILE . 19.4 mt-30 -60.57 -31.58 70.71 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.583 179.589 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.09 -45.36 89.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.429 179.738 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -47.59 85.3 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.859 179.739 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.434 HD12 ' CG ' ' B' ' 21' ' ' GLN . 0.5 OUTLIER -58.36 -36.18 57.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 179.762 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -61.49 -40.35 94.27 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.317 179.612 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -56.44 -47.15 79.72 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.762 179.277 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.481 ' CE1' ' HB3' ' B' ' 16' ' ' GLU . 0.2 OUTLIER -66.33 -26.15 67.16 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.629 178.727 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.495 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 6.0 ttmt -72.04 -26.72 62.3 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.894 179.877 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -75.1 -44.27 48.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.433 179.857 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.06 -42.0 90.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.158 179.889 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.495 ' CG2' ' HA ' ' A' ' 28' ' ' LYS . 3.8 tp -71.75 -32.15 44.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.94 -179.87 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.426 ' O ' ' CB ' ' A' ' 36' ' ' GLN . 25.0 mmtp -76.6 -20.47 56.74 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.075 179.892 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -83.54 -38.18 22.06 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.458 -179.632 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.479 ' CG ' ' CG2' ' B' ' 10' ' ' ILE . 45.2 tp -84.47 -22.39 30.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.771 0.32 . . . . 0.0 110.602 179.868 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 27.7 ttmt -89.06 -27.24 20.94 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.356 179.289 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.426 ' CB ' ' O ' ' A' ' 32' ' ' LYS . 10.2 tt0 -83.09 -32.09 26.94 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.508 179.461 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 21.6 p -75.7 -25.7 56.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.75 179.68 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -74.0 -29.44 61.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.899 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -145.09 44.32 1.33 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 179.989 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 36' ' ' GLN . 3.2 t70 -50.65 143.55 9.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.996 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.898 179.995 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.808 0.337 . . . . 0.0 111.063 . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . 0.414 HD13 ' N ' ' B' ' 2' ' ' LEU . 0.3 OUTLIER -148.1 -166.65 2.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.857 -179.951 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 20.0 mtmm -50.45 141.95 11.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.945 179.906 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -91.93 -25.03 19.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.932 -179.98 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 -78.77 -38.92 37.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.637 179.801 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -72.42 -36.32 68.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.778 179.932 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . 0.402 ' HA ' HG12 ' B' ' 10' ' ' ILE . 22.9 pt-20 -69.63 -35.6 75.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.475 179.77 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -64.07 -45.44 88.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.289 179.413 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -59.72 -50.82 72.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.315 179.52 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.479 ' CG2' ' CG ' ' A' ' 34' ' ' LEU . 12.4 pt -70.0 -11.64 15.15 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.659 178.999 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.59 -39.05 67.66 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 178.104 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.448 ' CE1' ' OE1' ' B' ' 16' ' ' GLU . 0.2 OUTLIER -73.27 -41.26 63.86 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.67 178.833 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . 0.434 ' HB2' ' CD1' ' A' ' 31' ' ' ILE . 10.0 m-70 -62.21 -32.29 72.93 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.399 179.274 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.27 -54.63 26.37 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.205 179.987 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.9 -21.68 58.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.38 178.938 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.481 ' HB3' ' CE1' ' A' ' 27' ' ' HIS . 0.1 OUTLIER -76.71 -42.81 40.02 Favored 'General case' 0 CA--C 1.527 0.081 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.324 -179.891 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.43 ' CG2' ' HB3' ' A' ' 27' ' ' HIS . 1.1 pp -70.86 -27.9 31.92 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.169 0 CA-C-O 120.937 0.399 . . . . 0.0 110.882 -179.747 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.36 -39.21 59.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.388 179.672 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 42.0 ttt-85 -66.08 -44.01 85.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.493 179.638 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.431 ' HB3' ' CG2' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -64.06 -36.99 85.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.121 179.559 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . 0.434 ' CG ' HD12 ' A' ' 24' ' ' ILE . 17.9 mt-30 -67.38 -29.53 69.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.384 179.278 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.74 -46.24 79.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.416 179.63 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.63 -46.91 87.57 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.745 179.71 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . 0.439 ' CD1' ' CG ' ' A' ' 21' ' ' GLN . 0.5 OUTLIER -58.5 -37.5 64.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 179.595 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -60.8 -40.17 91.67 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.358 179.609 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -56.47 -47.32 79.45 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 121.175 0.512 . . . . 0.0 109.759 179.324 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . 0.473 ' CE1' ' HB3' ' A' ' 16' ' ' GLU . 0.2 OUTLIER -66.26 -26.02 67.15 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.62 178.783 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.489 ' HA ' ' CG2' ' B' ' 31' ' ' ILE . 6.1 ttmt -72.31 -26.62 62.02 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.887 179.844 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -75.06 -44.3 48.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.498 179.761 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.89 -42.25 90.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.087 179.863 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . 0.489 ' CG2' ' HA ' ' B' ' 28' ' ' LYS . 3.8 tp -71.31 -32.53 47.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.037 -179.947 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . 0.421 ' O ' ' CB ' ' B' ' 36' ' ' GLN . 25.0 mmtp -76.19 -20.56 57.38 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.073 179.94 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -83.47 -38.24 22.09 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.483 -179.643 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.477 ' CG ' ' CG2' ' A' ' 10' ' ' ILE . 45.8 tp -84.49 -22.18 30.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.77 0.319 . . . . 0.0 110.664 179.808 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 27.6 ttmt -89.14 -27.23 20.86 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.356 179.241 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . 0.421 ' CB ' ' O ' ' B' ' 32' ' ' LYS . 10.1 tt0 -83.11 -32.24 26.83 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.387 179.511 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 21.3 p -75.67 -25.53 56.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.71 179.769 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -74.09 -29.62 61.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.795 179.939 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -144.93 44.36 1.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.844 -179.949 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . 0.419 ' N ' ' O ' ' B' ' 36' ' ' GLN . 3.2 t70 -50.74 143.6 9.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.986 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.274 -0.87 . . . . 0.0 110.903 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.578 ' HB2' HD13 ' B' ' 31' ' ' ILE . 8.3 m-70 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.786 0.327 . . . . 0.0 110.207 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.49 -54.94 13.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.491 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.416 ' O ' ' CB ' ' A' ' 19' ' ' ARG . 7.1 mttm -67.04 -14.01 62.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.73 179.273 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.605 ' O ' HD12 ' A' ' 20' ' ' LEU . 1.3 mm-40 -84.49 -36.83 21.98 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.212 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.655 ' O ' HD13 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -78.18 -31.7 16.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.945 0.402 . . . . 0.0 110.463 179.654 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -80.62 -39.29 27.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.358 179.268 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.416 ' CB ' ' O ' ' A' ' 15' ' ' LYS . 15.2 ttp180 -74.33 -28.17 61.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.308 179.572 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.801 ' O ' HG23 ' A' ' 24' ' ' ILE . 13.6 mt -73.81 -40.73 63.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.099 179.515 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.406 ' O ' HG13 ' A' ' 24' ' ' ILE . 1.6 tt0 -62.74 -42.69 99.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.598 179.609 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.4 ttpt -64.43 -38.02 89.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.698 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -64.55 -38.56 91.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.209 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.801 HG23 ' O ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -64.41 -40.46 89.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.928 0.394 . . . . 0.0 110.264 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.408 ' N ' HG13 ' A' ' 24' ' ' ILE . 1.0 OUTLIER -58.8 -44.55 90.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.463 179.743 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.48 -49.29 72.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.268 179.552 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.642 ' O ' HG22 ' A' ' 31' ' ' ILE . 4.7 m-70 -64.53 -24.73 67.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.576 179.503 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.455 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 4.1 ttpt -77.13 -26.0 52.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.785 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -78.74 -35.3 44.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.746 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 13.1 p -74.52 -36.05 63.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.862 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.642 HG22 ' O ' ' A' ' 27' ' ' HIS . 4.7 tp -77.31 -28.99 16.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.69 -31.62 41.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.76 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.689 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 9.7 p . . . . . 0 C--O 1.233 0.192 0 CA-C-O 120.797 0.332 . . . . 0.0 110.806 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -71.77 -44.11 64.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.37 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 13' ' ' HIS . . . . . 0.592 ' HB2' HD13 ' A' ' 31' ' ' ILE . 8.3 m-70 -62.84 -27.27 69.21 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.839 0.352 . . . . 0.0 110.275 179.388 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.47 -54.91 13.85 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.478 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' LYS . . . . . 0.419 ' O ' ' CB ' ' B' ' 19' ' ' ARG . 7.2 mttm -67.09 -13.91 62.39 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.747 179.214 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.612 ' O ' HD12 ' B' ' 20' ' ' LEU . 1.3 mm-40 -84.68 -36.52 21.84 Favored 'General case' 0 N--CA 1.457 -0.076 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.244 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.658 HD13 ' O ' ' B' ' 17' ' ' ILE . 0.0 OUTLIER -78.47 -31.59 15.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.882 0.373 . . . . 0.0 110.428 179.615 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -80.92 -39.19 26.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.389 179.296 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' ARG . . . . . 0.419 ' CB ' ' O ' ' B' ' 15' ' ' LYS . 15.1 ttp180 -74.22 -28.72 61.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.343 179.478 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.799 ' HB3' HG22 ' A' ' 24' ' ' ILE . 13.4 mt -73.0 -41.54 64.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.1 179.374 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 21' ' ' GLN . . . . . 0.408 ' O ' HG13 ' B' ' 24' ' ' ILE . 1.6 tt0 -61.86 -42.88 99.59 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.667 179.752 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 7.4 ttpt -64.34 -37.69 88.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.736 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -64.96 -38.1 89.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.179 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.786 HG22 ' HB3' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -64.78 -40.37 88.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.043 0.449 . . . . 0.0 110.249 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 25' ' ' GLU . . . . . 0.417 ' N ' HG13 ' B' ' 24' ' ' ILE . 1.0 OUTLIER -59.02 -44.41 91.71 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.48 179.701 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.52 -49.28 73.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.274 179.555 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 27' ' ' HIS . . . . . 0.645 ' CD2' HD11 ' A' ' 20' ' ' LEU . 4.7 m-70 -64.56 -24.73 67.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.584 179.49 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.452 ' HA ' ' CG2' ' B' ' 31' ' ' ILE . 4.0 ttpt -77.07 -26.0 52.97 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.832 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -78.76 -35.24 44.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.778 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 13.0 p -74.52 -36.02 63.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.639 HG22 ' O ' ' B' ' 27' ' ' HIS . 4.6 tp . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.865 ' O ' HG23 ' A' ' 17' ' ' ILE . 17.3 m-70 . . . . . 0 N--CA 1.457 -0.116 0 CA-C-O 120.876 0.369 . . . . 0.0 110.133 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.45 ' N ' HG13 ' B' ' 31' ' ' ILE . . . -64.66 -51.83 60.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.474 179.712 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.0 mttm -64.66 -21.25 66.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.503 179.23 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -77.35 -35.95 54.19 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.147 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.865 HG23 ' O ' ' A' ' 13' ' ' HIS . 1.0 OUTLIER -72.59 -35.39 50.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.826 0.346 . . . . 0.0 110.941 -179.929 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.426 ' N ' HG13 ' A' ' 17' ' ' ILE . 58.6 mt-10 -75.27 -38.94 60.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.552 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.71 -34.26 75.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.552 179.732 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.809 HD13 ' HA ' ' B' ' 24' ' ' ILE . 0.5 OUTLIER -66.61 -44.86 80.93 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.035 179.475 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.407 ' O ' HG13 ' A' ' 24' ' ' ILE . 10.9 tt0 -56.58 -44.79 81.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.815 179.792 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -61.57 -35.61 78.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.725 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.455 ' HG2' HD11 ' B' ' 20' ' ' LEU . 1.3 tt0 -65.93 -39.26 90.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.155 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.807 ' HA ' HD13 ' B' ' 20' ' ' LEU . 0.5 OUTLIER -62.9 -40.91 90.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.989 0.423 . . . . 0.0 110.147 179.885 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.409 ' N ' HG13 ' A' ' 24' ' ' ILE . 0.2 OUTLIER -60.37 -41.56 93.97 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.387 179.561 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.1 mmt180 -56.03 -44.97 79.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.014 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.811 ' HB3' HG22 ' B' ' 17' ' ' ILE . 0.2 OUTLIER -65.69 -28.16 68.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.087 179.37 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.522 ' HA ' HG22 ' A' ' 31' ' ' ILE . 1.9 ttpt -74.78 -23.45 58.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.852 179.642 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.418 ' HA ' ' CG ' ' A' ' 32' ' ' LYS . 36.7 tt0 -80.81 -34.41 34.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.757 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.86 -36.4 56.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.576 179.698 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.596 HG21 HG21 ' B' ' 17' ' ' ILE . 0.0 OUTLIER -77.8 -33.85 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.862 179.681 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.418 ' CG ' ' HA ' ' A' ' 29' ' ' GLN . 0.0 OUTLIER -77.19 -29.77 54.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.456 179.543 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.348 179.51 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.92 0.391 . . . . 0.0 110.762 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 12' ' ' HIS . . . . . 0.434 ' CE1' ' CE1' ' B' ' 13' ' ' HIS . 0.0 OUTLIER -71.56 -44.19 64.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.243 179.859 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 13' ' ' HIS . . . . . 0.845 ' O ' HG23 ' B' ' 17' ' ' ILE . 17.1 m-70 -64.03 -30.06 71.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.833 0.349 . . . . 0.0 110.1 179.478 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 14' ' ' ALA . . . . . 0.448 ' N ' HG13 ' A' ' 31' ' ' ILE . . . -65.01 -51.8 59.65 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.441 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 4.9 mttm -64.33 -21.65 66.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.449 179.25 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -76.71 -37.06 56.73 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.142 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.845 HG23 ' O ' ' B' ' 13' ' ' HIS . 1.0 OUTLIER -71.5 -35.56 57.11 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 CA-C-O 120.901 0.381 . . . . 0.0 111.045 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.422 ' N ' HG13 ' B' ' 17' ' ' ILE . 63.2 mt-10 -74.34 -39.24 62.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.69 179.633 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.23 -32.32 71.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.614 179.772 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.807 HD13 ' HA ' ' A' ' 24' ' ' ILE . 0.5 OUTLIER -69.79 -39.5 76.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.344 179.596 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 21' ' ' GLN . . . . . 0.41 ' O ' HG13 ' B' ' 24' ' ' ILE . 10.2 tt0 -61.85 -43.53 98.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.541 179.413 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -63.11 -36.19 82.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.683 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' GLU . . . . . 0.41 ' HG2' HD11 ' A' ' 20' ' ' LEU . 1.5 tt0 -65.36 -39.36 92.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.15 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.809 ' HA ' HD13 ' A' ' 20' ' ' LEU . 0.5 OUTLIER -62.65 -41.24 91.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.027 0.441 . . . . 0.0 110.015 179.91 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 25' ' ' GLU . . . . . 0.409 ' N ' HG13 ' B' ' 24' ' ' ILE . 0.2 OUTLIER -60.33 -41.33 93.31 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.351 179.589 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -56.05 -45.18 79.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.08 179.467 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 27' ' ' HIS . . . . . 0.827 ' HB3' HG22 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -65.31 -28.0 69.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.157 179.274 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.515 ' HA ' HG22 ' B' ' 31' ' ' ILE . 2.0 ttpt -74.86 -23.86 58.48 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.79 179.768 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -80.51 -34.14 35.87 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.751 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 3.8 m -76.99 -36.46 56.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.61 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.61 HG21 HG21 ' A' ' 17' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.818 179.725 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.473 ' HB2' HD13 ' B' ' 31' ' ' ILE . 10.8 m-70 . . . . . 0 N--CA 1.458 -0.055 0 CA-C-O 120.7 0.286 . . . . 0.0 110.241 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.445 ' O ' HG22 ' A' ' 17' ' ' ILE . . . -70.96 -54.1 12.52 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.351 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.409 ' O ' ' CB ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -69.01 -15.51 63.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.669 179.141 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.593 ' O ' HD12 ' A' ' 20' ' ' LEU . 6.6 mm-40 -84.26 -34.54 23.79 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.973 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.612 ' C ' HD13 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -77.09 -35.54 23.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.901 0.381 . . . . 0.0 110.451 179.668 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.8 -38.95 37.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.362 179.308 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.409 ' CB ' ' O ' ' A' ' 15' ' ' LYS . 3.7 ttt180 -74.0 -26.99 60.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.423 179.588 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.759 ' O ' HG23 ' A' ' 24' ' ' ILE . 10.2 mt -73.2 -42.12 63.04 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.103 179.379 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -61.38 -44.6 96.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.653 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.07 -35.74 81.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.711 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.405 ' OE2' ' CZ ' ' A' ' 19' ' ' ARG . 3.4 mt-10 -66.45 -36.32 82.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.158 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.759 HG23 ' O ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -65.89 -41.53 90.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.99 0.424 . . . . 0.0 110.159 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.403 ' N ' HG13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -58.74 -44.18 90.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.441 179.701 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.76 -49.32 73.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.268 179.601 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.736 ' O ' HG22 ' A' ' 31' ' ' ILE . 1.7 m-70 -62.99 -25.34 68.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.561 179.531 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.453 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 0.0 OUTLIER -75.12 -30.38 60.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.902 179.923 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -75.03 -34.66 61.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.746 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.59 -40.64 61.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.736 HG22 ' O ' ' A' ' 27' ' ' HIS . 4.0 tp -74.22 -26.08 20.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.87 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt -79.07 -36.39 40.91 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.745 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.736 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 3.2 t . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.828 0.347 . . . . 0.0 111.059 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 12' ' ' HIS . . . . . 0.445 ' CE1' ' CE1' ' B' ' 13' ' ' HIS . 0.0 OUTLIER -75.0 -43.33 54.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.426 -179.897 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 13' ' ' HIS . . . . . 0.486 ' HB2' HD13 ' A' ' 31' ' ' ILE . 10.8 m-70 -65.3 -25.72 67.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.755 0.312 . . . . 0.0 110.318 179.42 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 14' ' ' ALA . . . . . 0.442 ' O ' HG22 ' B' ' 17' ' ' ILE . . . -70.97 -54.05 12.69 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.441 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 15' ' ' LYS . . . . . 0.411 ' O ' ' CB ' ' B' ' 19' ' ' ARG . 0.0 OUTLIER -69.03 -15.62 63.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.635 179.1 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.587 ' O ' HD12 ' B' ' 20' ' ' LEU . 6.6 mm-40 -84.18 -34.56 23.95 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.994 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.623 HD13 ' C ' ' B' ' 17' ' ' ILE . 0.0 OUTLIER -77.03 -35.54 23.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.884 0.373 . . . . 0.0 110.477 179.626 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.94 -38.84 36.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.312 179.401 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 19' ' ' ARG . . . . . 0.412 ' CZ ' ' OE2' ' B' ' 23' ' ' GLU . 3.7 ttt180 -73.94 -27.04 60.82 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.444 179.531 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.758 ' HB3' HG22 ' A' ' 24' ' ' ILE . 10.2 mt -73.17 -42.21 63.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.058 179.426 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 21' ' ' GLN . . . . . 0.404 ' O ' HG13 ' B' ' 24' ' ' ILE . 1.9 tt0 -61.29 -44.73 96.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.653 179.62 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.91 -35.75 81.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.77 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 23' ' ' GLU . . . . . 0.412 ' OE2' ' CZ ' ' B' ' 19' ' ' ARG . 3.4 mt-10 -66.5 -36.31 82.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.142 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.758 HG23 ' O ' ' B' ' 20' ' ' LEU . 0.5 OUTLIER -65.86 -41.56 90.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.99 0.424 . . . . 0.0 110.159 179.919 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 25' ' ' GLU . . . . . 0.412 ' N ' HG13 ' B' ' 24' ' ' ILE . 0.0 OUTLIER -58.75 -44.07 90.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.54 179.727 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.8 -49.39 73.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.261 179.546 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 27' ' ' HIS . . . . . 0.729 ' O ' HG22 ' B' ' 31' ' ' ILE . 1.8 m-70 -62.89 -25.33 68.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.644 179.463 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.455 ' HA ' ' CG2' ' B' ' 31' ' ' ILE . 0.0 OUTLIER -75.17 -30.31 60.66 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.886 179.906 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -75.12 -34.6 61.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.734 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.59 -40.54 61.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.933 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.729 HG22 ' O ' ' B' ' 27' ' ' HIS . 4.0 tp . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.806 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.441 ' CB ' ' HB ' ' B' ' 31' ' ' ILE . 7.8 m-70 . . . . . 0 CA--C 1.522 -0.128 0 N-CA-C 110.167 -0.309 . . . . 0.0 110.167 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.541 ' O ' HG22 ' A' ' 17' ' ' ILE . . . -70.48 -56.23 7.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.411 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.04 -13.1 62.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.494 178.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.822 ' O ' HD23 ' A' ' 20' ' ' LEU . 7.1 tp10 -86.05 -32.13 21.58 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.775 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.619 ' C ' HD13 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -77.22 -37.81 26.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 120.842 0.353 . . . . 0.0 110.415 179.523 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.36 -37.86 56.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.444 179.285 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.24 -29.71 62.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.648 179.732 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.822 HD23 ' O ' ' A' ' 16' ' ' GLU . 1.9 mm? -71.9 -39.1 69.77 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.016 179.52 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.406 ' O ' HG13 ' A' ' 24' ' ' ILE . 1.9 tt0 -62.03 -47.45 84.68 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.538 179.553 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.82 -33.48 75.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.64 179.724 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -67.23 -36.39 81.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.011 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.764 HG22 ' HB3' ' B' ' 20' ' ' LEU . 0.5 OUTLIER -65.82 -41.13 89.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.007 0.432 . . . . 0.0 110.079 179.872 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.406 ' N ' HG13 ' A' ' 24' ' ' ILE . 1.1 tp10 -59.28 -43.11 92.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.465 179.598 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.6 ttm180 -55.84 -50.74 69.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.125 179.495 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.737 ' O ' HG22 ' A' ' 31' ' ' ILE . 4.0 m-70 -62.32 -24.87 67.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.387 179.308 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.451 ' CB ' HG13 ' B' ' 17' ' ' ILE . 2.2 ttpp -74.25 -29.93 61.91 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.648 179.633 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -76.06 -31.8 58.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.796 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.7 m -77.0 -39.09 51.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.737 HG22 ' O ' ' A' ' 27' ' ' HIS . 3.1 tp -75.71 -28.93 19.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.711 179.77 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.87 -34.32 39.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.868 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.9 tttt . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.665 179.846 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 2.7 m . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.78 0.324 . . . . 0.0 110.827 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -78.2 -40.55 37.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.487 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 13' ' ' HIS . . . . . 0.451 ' CB ' ' HB ' ' A' ' 31' ' ' ILE . 7.8 m-70 -67.04 -27.51 67.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.851 0.357 . . . . 0.0 110.18 179.332 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 14' ' ' ALA . . . . . 0.634 ' N ' HD13 ' A' ' 31' ' ' ILE . . . -70.85 -55.55 8.24 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.333 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.5 -13.36 62.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.468 178.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.817 ' O ' HD23 ' B' ' 20' ' ' LEU . 7.1 tp10 -85.81 -31.91 22.06 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.789 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.626 HD13 ' C ' ' B' ' 17' ' ' ILE . 0.0 OUTLIER -77.05 -38.01 27.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.843 0.354 . . . . 0.0 110.365 179.555 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.34 -37.83 56.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.34 179.448 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.19 -29.69 63.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.691 179.686 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.817 HD23 ' O ' ' B' ' 16' ' ' GLU . 1.9 mm? -71.88 -39.11 69.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.308 -0.406 . . . . 0.0 109.999 179.499 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 21' ' ' GLN . . . . . 0.408 ' O ' HG13 ' B' ' 24' ' ' ILE . 2.0 tt0 -62.14 -47.42 84.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.487 179.644 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.0 -33.26 75.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.625 179.728 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -67.42 -36.35 81.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.969 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.766 HG22 ' HB3' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -65.8 -41.16 89.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.026 0.441 . . . . 0.0 110.045 179.847 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 25' ' ' GLU . . . . . 0.408 ' N ' HG13 ' B' ' 24' ' ' ILE . 1.1 tp10 -59.32 -43.05 92.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.462 179.584 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 8.5 ttm180 -55.75 -50.59 69.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.176 179.439 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' HIS . . . . . 0.724 ' O ' HG22 ' B' ' 31' ' ' ILE . 3.9 m-70 -62.6 -24.83 67.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.357 179.311 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.454 ' CB ' HG13 ' A' ' 17' ' ' ILE . 2.1 ttpp -74.36 -29.65 61.66 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.655 179.626 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -76.28 -32.27 58.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.82 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 4.6 m -76.62 -38.79 54.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.724 HG22 ' O ' ' B' ' 27' ' ' HIS . 3.6 tp . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.772 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.455 ' CB ' ' HB ' ' B' ' 31' ' ' ILE . 9.9 m-70 . . . . . 0 CA--C 1.522 -0.12 0 CA-C-O 120.866 0.365 . . . . 0.0 110.142 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.693 ' N ' HD13 ' B' ' 31' ' ' ILE . . . -65.17 -54.78 24.44 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.421 179.768 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.403 ' O ' ' CG ' ' A' ' 19' ' ' ARG . 9.0 mtmt -66.7 -16.42 64.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.677 179.166 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.66 ' O ' HD23 ' A' ' 20' ' ' LEU . 1.6 mm-40 -81.87 -33.36 30.6 Favored 'General case' 0 N--CA 1.456 -0.125 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.272 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.531 HD12 ' CB ' ' B' ' 28' ' ' LYS . 2.7 tt -79.18 -33.69 15.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 120.893 0.378 . . . . 0.0 110.517 179.75 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -78.75 -36.46 43.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.469 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.403 ' CG ' ' O ' ' A' ' 15' ' ' LYS . 1.4 mmm-85 -74.97 -33.61 61.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.737 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.863 ' HB3' HG22 ' B' ' 24' ' ' ILE . 2.1 mm? -72.37 -35.67 68.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.148 179.497 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.694 ' HG3' HD13 ' B' ' 24' ' ' ILE . 1.6 mt-30 -64.35 -45.3 88.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.519 179.584 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.09 -36.91 85.16 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.645 179.708 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.6 tp10 -63.94 -40.98 97.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.03 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.879 HG22 ' HB3' ' B' ' 20' ' ' LEU . 0.6 OUTLIER -62.61 -38.67 82.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 121.027 0.442 . . . . 0.0 110.129 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.406 ' N ' HG13 ' A' ' 24' ' ' ILE . 2.1 tp10 -59.12 -44.69 92.03 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.493 179.705 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.7 ttt180 -55.35 -49.5 72.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.126 179.523 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.794 ' O ' HG22 ' A' ' 31' ' ' ILE . 7.5 m-70 -63.24 -25.99 68.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.372 179.328 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.53 ' CB ' HD12 ' B' ' 17' ' ' ILE . 20.6 ttmm -75.47 -26.37 58.16 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.783 179.718 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -77.39 -34.72 54.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.692 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.1 m -75.42 -40.39 57.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.754 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.794 HG22 ' O ' ' A' ' 27' ' ' HIS . 3.5 tp -76.87 -27.38 16.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -82.49 -28.57 31.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.769 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.6 tttt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.645 179.791 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 6.2 t . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.868 0.366 . . . . 0.0 110.722 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 12' ' ' HIS . . . . . 0.441 ' CE1' ' CE1' ' B' ' 13' ' ' HIS . 0.0 OUTLIER -75.27 -45.56 39.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.292 179.912 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 13' ' ' HIS . . . . . 0.456 ' CB ' ' HB ' ' A' ' 31' ' ' ILE . 10.0 m-70 -62.53 -30.53 71.36 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 179.352 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 14' ' ' ALA . . . . . 0.577 ' N ' HD13 ' A' ' 31' ' ' ILE . . . -65.63 -55.62 16.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.357 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 15' ' ' LYS . . . . . 0.421 ' O ' ' CG ' ' B' ' 19' ' ' ARG . 9.4 mtmt -66.38 -15.94 63.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.616 179.171 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.652 ' O ' HD23 ' B' ' 20' ' ' LEU . 1.6 mm-40 -82.21 -33.88 29.17 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.218 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.53 HD12 ' CB ' ' A' ' 28' ' ' LYS . 2.7 tt -79.16 -33.39 15.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.838 0.352 . . . . 0.0 110.501 179.627 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -78.84 -36.44 42.42 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.546 179.419 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' ARG . . . . . 0.421 ' CG ' ' O ' ' B' ' 15' ' ' LYS . 1.6 mmm-85 -75.0 -33.51 61.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.675 179.727 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.879 ' HB3' HG22 ' A' ' 24' ' ' ILE . 2.2 mm? -72.35 -35.74 68.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.054 179.619 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 21' ' ' GLN . . . . . 0.681 ' HG3' HD13 ' A' ' 24' ' ' ILE . 1.6 mt-30 -64.29 -45.51 87.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.529 179.564 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.88 -37.04 85.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.604 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 -63.82 -41.04 97.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.986 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.863 HG22 ' HB3' ' A' ' 20' ' ' LEU . 0.6 OUTLIER -62.46 -38.7 82.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.029 0.442 . . . . 0.0 110.158 179.864 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 25' ' ' GLU . . . . . 0.408 ' N ' HG13 ' B' ' 24' ' ' ILE . 2.1 tp10 -59.04 -44.92 91.83 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.515 179.718 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 18.5 ttt180 -55.16 -49.56 71.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.187 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' HIS . . . . . 0.794 ' O ' HG22 ' B' ' 31' ' ' ILE . 7.4 m-70 -63.13 -26.14 68.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.414 179.332 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.531 ' CB ' HD12 ' A' ' 17' ' ' ILE . 20.7 ttmm -75.34 -26.43 58.57 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.712 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -77.39 -34.25 54.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.668 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 3.1 m -75.79 -40.47 55.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.82 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.794 HG22 ' O ' ' B' ' 27' ' ' HIS . 3.0 tp . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.797 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.441 ' CB ' ' HB ' ' B' ' 31' ' ' ILE . 10.5 m-70 . . . . . 0 CA--C 1.522 -0.103 0 CA-C-O 120.83 0.347 . . . . 0.0 110.269 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.451 ' N ' HD13 ' B' ' 31' ' ' ILE . . . -69.88 -55.2 10.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.371 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.415 ' O ' ' CB ' ' A' ' 19' ' ' ARG . 2.1 mttp -68.17 -14.7 63.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.593 179.055 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.63 ' O ' HD12 ' A' ' 20' ' ' LEU . 8.1 mm-40 -84.55 -34.65 23.2 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.122 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.616 ' C ' HD13 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -78.29 -34.16 18.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.841 0.353 . . . . 0.0 110.35 179.601 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.28 -39.19 33.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.32 179.369 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.415 ' CB ' ' O ' ' A' ' 15' ' ' LYS . 0.7 OUTLIER -73.86 -29.02 61.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.475 179.632 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.81 ' HB3' HG22 ' B' ' 24' ' ' ILE . 12.9 mt -72.77 -39.89 66.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.048 179.393 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.404 ' O ' HG13 ' A' ' 24' ' ' ILE . 15.6 tt0 -61.91 -45.35 94.11 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.684 179.691 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.37 -36.93 85.33 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.721 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.59 -38.18 90.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.126 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.808 HG22 ' HB3' ' B' ' 20' ' ' LEU . 0.5 OUTLIER -65.14 -39.88 86.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.072 0.463 . . . . 0.0 110.23 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.411 ' N ' HG13 ' A' ' 24' ' ' ILE . 1.5 tp10 -58.57 -44.45 89.73 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.494 179.671 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.5 -49.86 73.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.35 179.627 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.582 ' CD2' ' HB3' ' B' ' 16' ' ' GLU . 0.7 OUTLIER -62.99 -25.05 68.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.462 179.531 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.483 ' HA ' HG22 ' A' ' 31' ' ' ILE . 8.3 ttpt -77.84 -26.18 49.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.83 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -76.37 -36.03 58.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.829 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.2 m -73.69 -41.13 63.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.681 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.529 HD13 ' N ' ' B' ' 14' ' ' ALA . 5.0 tp -71.87 -27.28 27.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.222 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.69 -36.4 37.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.025 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.0 ttmt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.774 179.968 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.767 0.318 . . . . 0.0 111.053 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' HIS . . . . . 0.455 ' CE1' ' CE1' ' B' ' 13' ' ' HIS . 0.0 OUTLIER -76.83 -44.73 31.23 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.405 -179.815 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 13' ' ' HIS . . . . . 0.461 ' CB ' ' HB ' ' A' ' 31' ' ' ILE . 10.6 m-70 -64.99 -26.2 68.19 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.246 179.313 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 14' ' ' ALA . . . . . 0.529 ' N ' HD13 ' A' ' 31' ' ' ILE . . . -70.31 -54.75 11.32 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.432 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 15' ' ' LYS . . . . . 0.4 ' O ' ' CB ' ' B' ' 19' ' ' ARG . 2.0 mttp -68.33 -15.03 63.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.635 179.034 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.605 ' O ' HD12 ' B' ' 20' ' ' LEU . 8.1 mm-40 -84.26 -34.85 23.74 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.039 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.615 HD13 ' C ' ' B' ' 17' ' ' ILE . 0.0 OUTLIER -77.74 -34.6 20.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.926 0.393 . . . . 0.0 110.444 179.597 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.8 -39.21 36.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.422 179.334 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 19' ' ' ARG . . . . . 0.4 ' CB ' ' O ' ' B' ' 15' ' ' LYS . 0.8 OUTLIER -74.07 -28.32 61.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.51 179.657 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.808 ' HB3' HG22 ' A' ' 24' ' ' ILE . 13.0 mt -73.6 -39.29 64.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.045 179.472 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 21' ' ' GLN . . . . . 0.411 ' O ' HG13 ' B' ' 24' ' ' ILE . 15.8 tt0 -62.59 -45.18 94.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.58 179.553 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.48 -37.03 85.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.731 179.763 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.36 -38.6 91.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.119 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.81 HG22 ' HB3' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -64.78 -39.91 87.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.938 0.399 . . . . 0.0 110.178 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 25' ' ' GLU . . . . . 0.413 ' N ' HG13 ' B' ' 24' ' ' ILE . 1.4 tp10 -58.53 -44.41 89.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.544 179.72 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.45 -50.02 72.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.33 179.564 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 27' ' ' HIS . . . . . 0.574 ' CD2' ' HB3' ' A' ' 16' ' ' GLU . 0.7 OUTLIER -62.95 -24.96 68.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.519 179.464 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.48 ' HA ' HG22 ' B' ' 31' ' ' ILE . 8.2 ttpt -77.93 -26.14 48.74 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.772 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -76.57 -36.26 57.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.772 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 1.2 m -73.44 -41.03 63.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.715 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.509 HG22 ' O ' ' B' ' 27' ' ' HIS . 5.4 tp . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.221 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.88 ' O ' HG23 ' A' ' 17' ' ' ILE . 13.2 m-70 . . . . . 0 CA--C 1.52 -0.191 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.446 ' N ' HG13 ' B' ' 31' ' ' ILE . . . -64.75 -57.16 9.7 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.172 179.625 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp -62.28 -17.79 59.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.324 178.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.835 ' O ' HD23 ' A' ' 20' ' ' LEU . 31.9 tt0 -80.33 -34.48 36.65 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.973 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.88 HG23 ' O ' ' A' ' 13' ' ' HIS . 1.1 pp -72.57 -35.08 49.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.974 0.416 . . . . 0.0 110.619 179.784 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.427 ' N ' HG13 ' A' ' 17' ' ' ILE . 0.8 OUTLIER -75.19 -44.42 46.61 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.533 179.586 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -70.17 -24.63 63.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.481 179.513 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.835 HD23 ' O ' ' A' ' 16' ' ' GLU . 1.4 mm? -71.14 -43.6 67.23 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.045 179.305 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.46 ' HA ' HG21 ' B' ' 24' ' ' ILE . 0.0 OUTLIER -59.99 -50.54 73.34 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.404 179.446 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.6 -25.74 68.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.669 179.613 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -74.67 -31.51 61.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.934 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.682 HG23 ' O ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -69.9 -42.67 79.84 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 CA-C-O 121.087 0.47 . . . . 0.0 110.057 179.837 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.409 ' N ' HG13 ' A' ' 24' ' ' ILE . 0.4 OUTLIER -63.29 -43.77 96.93 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.421 179.53 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -58.63 -37.38 75.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.311 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.829 ' HB3' HG22 ' B' ' 17' ' ' ILE . 0.2 OUTLIER -68.8 -28.91 67.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.221 179.454 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.464 ' HA ' HG22 ' A' ' 31' ' ' ILE . 4.0 ttpt -72.41 -28.7 63.15 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.745 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.6 -35.62 52.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.801 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.1 m -75.34 -33.1 61.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.96 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.464 HG22 ' HA ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -76.68 -31.6 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.974 179.898 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -76.96 -36.3 56.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.658 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.658 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.875 0.369 . . . . 0.0 110.789 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -75.36 -38.35 60.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.097 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 13' ' ' HIS . . . . . 0.883 ' O ' HG23 ' B' ' 17' ' ' ILE . 12.9 m-70 -65.33 -32.49 74.16 Favored 'General case' 0 CA--C 1.52 -0.197 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 179.097 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 14' ' ' ALA . . . . . 0.441 ' N ' HG13 ' A' ' 31' ' ' ILE . . . -64.73 -57.17 9.7 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.253 179.676 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 3.6 mmtp -62.19 -17.67 58.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.384 178.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.846 ' O ' HD23 ' B' ' 20' ' ' LEU . 31.8 tt0 -80.3 -34.83 36.51 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.023 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.883 HG23 ' O ' ' B' ' 13' ' ' HIS . 1.1 pp -72.18 -35.14 52.05 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 CA-C-O 120.963 0.411 . . . . 0.0 110.668 179.704 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.422 ' N ' HG13 ' B' ' 17' ' ' ILE . 0.8 OUTLIER -74.76 -44.83 47.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.452 179.525 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -69.85 -24.31 63.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.465 179.529 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.846 HD23 ' O ' ' B' ' 16' ' ' GLU . 1.4 mm? -71.65 -42.74 67.19 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.115 179.345 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 21' ' ' GLN . . . . . 0.413 ' HA ' HG21 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -60.65 -50.28 74.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.439 179.231 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.15 -25.43 68.08 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.641 179.591 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -74.7 -32.08 62.06 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.962 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.696 HG23 ' O ' ' B' ' 20' ' ' LEU . 0.5 OUTLIER -69.66 -42.65 80.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.046 0.45 . . . . 0.0 110.009 179.803 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 25' ' ' GLU . . . . . 0.406 ' N ' HG13 ' B' ' 24' ' ' ILE . 0.4 OUTLIER -63.02 -44.05 97.02 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.476 179.573 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -58.54 -37.51 75.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.304 179.472 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' HIS . . . . . 0.807 ' HB3' HG22 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -68.74 -28.84 67.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.333 179.464 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.484 ' HA ' HG22 ' B' ' 31' ' ' ILE . 4.0 ttpt -72.47 -28.8 63.14 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.694 179.766 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.36 -35.75 54.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.864 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -75.24 -33.17 61.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.484 HG22 ' HA ' ' B' ' 28' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.943 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.626 ' HB2' HD13 ' B' ' 31' ' ' ILE . 8.5 m-70 . . . . . 0 N--CA 1.458 -0.062 0 CA-C-O 120.717 0.294 . . . . 0.0 110.328 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.44 -51.75 12.32 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.447 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.416 ' O ' ' CB ' ' A' ' 19' ' ' ARG . 3.7 mttp -74.15 -14.56 60.98 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.441 178.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.619 ' HG2' ' CD2' ' B' ' 27' ' ' HIS . 0.6 OUTLIER -87.02 -33.5 19.55 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.722 179.777 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.684 ' O ' HD13 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -77.64 -35.67 21.81 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 CA-C-O 120.859 0.362 . . . . 0.0 110.406 179.503 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.65 -39.09 37.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.325 179.254 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.416 ' CB ' ' O ' ' A' ' 15' ' ' LYS . 13.8 tpt85 -73.76 -27.31 61.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.513 179.571 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.81 ' HB3' HG22 ' B' ' 24' ' ' ILE . 13.0 mt -73.1 -41.2 64.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.012 179.417 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.402 ' O ' HG13 ' A' ' 24' ' ' ILE . 21.6 tt0 -61.13 -46.74 89.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.528 179.507 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.87 -33.08 74.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.764 179.748 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.05 -35.06 77.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.059 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.842 HG22 ' HB3' ' B' ' 20' ' ' LEU . 0.5 OUTLIER -66.99 -41.54 87.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.066 0.46 . . . . 0.0 110.117 179.844 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.401 ' N ' HG13 ' A' ' 24' ' ' ILE . 10.9 tt0 -59.16 -44.43 92.11 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.611 179.614 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.84 -49.4 73.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.245 179.554 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.627 ' CD2' ' HG2' ' B' ' 16' ' ' GLU . 9.2 m80 -65.33 -23.46 67.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.624 179.404 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.447 ' CB ' HG13 ' B' ' 17' ' ' ILE . 0.2 OUTLIER -73.41 -32.64 64.55 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.655 179.831 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.74 -32.46 57.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.713 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.8 p -74.98 -35.14 62.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.697 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.628 HD13 ' HB2' ' B' ' 13' ' ' HIS . 7.1 tp -73.31 -34.99 45.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.079 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 48.3 mmtt -76.57 -33.97 58.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.648 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.4 mtpm? . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.444 179.727 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 21.0 p . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.639 0.257 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -80.45 -39.98 27.15 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 116.565 -0.288 . . . . 0.0 110.644 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 13' ' ' HIS . . . . . 0.628 ' HB2' HD13 ' A' ' 31' ' ' ILE . 8.6 m-70 -70.3 -24.28 63.0 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.402 179.262 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.57 -51.99 11.62 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.39 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' LYS . . . . . 0.417 ' O ' ' CB ' ' B' ' 19' ' ' ARG . 3.7 mttp -73.92 -14.18 61.01 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.445 178.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.627 ' HG2' ' CD2' ' A' ' 27' ' ' HIS . 0.6 OUTLIER -87.28 -33.63 19.19 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.762 179.786 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.69 HD13 ' O ' ' B' ' 17' ' ' ILE . 0.0 OUTLIER -77.73 -35.45 21.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.812 0.339 . . . . 0.0 110.358 179.537 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.89 -39.22 35.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.361 179.218 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 19' ' ' ARG . . . . . 0.417 ' CB ' ' O ' ' B' ' 15' ' ' LYS . 13.9 tpt85 -73.63 -27.53 61.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.534 179.541 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.842 ' HB3' HG22 ' A' ' 24' ' ' ILE . 13.2 mt -72.69 -41.71 65.01 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 109.892 179.379 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 21' ' ' GLN . . . . . 0.402 ' O ' HG13 ' B' ' 24' ' ' ILE . 21.9 tt0 -60.49 -46.85 88.6 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.504 179.68 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 22' ' ' LYS . . . . . 0.402 ' HA ' ' HE2' ' B' ' 22' ' ' LYS . 0.0 OUTLIER -63.97 -32.89 74.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.753 179.861 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.33 -34.64 76.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.037 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.81 HG22 ' HB3' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -67.56 -41.4 85.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.965 0.412 . . . . 0.0 110.029 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 25' ' ' GLU . . . . . 0.407 ' N ' HG13 ' B' ' 24' ' ' ILE . 11.5 tt0 -59.3 -44.51 92.52 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.5 179.593 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.66 -49.38 73.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.255 179.611 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 27' ' ' HIS . . . . . 0.619 ' CD2' ' HG2' ' A' ' 16' ' ' GLU . 9.2 m80 -65.25 -23.81 67.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.569 179.459 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.439 ' CB ' HG13 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -73.02 -32.87 65.38 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.7 179.824 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.56 -32.31 58.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.771 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 96.1 p -74.94 -35.29 62.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.758 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.626 HD13 ' HB2' ' A' ' 13' ' ' HIS . 7.1 tp . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.123 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.549 ' HB2' HD13 ' B' ' 31' ' ' ILE . 11.5 m-70 . . . . . 0 CA--C 1.521 -0.135 0 CA-C-O 120.741 0.305 . . . . 0.0 110.215 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.86 -52.01 53.91 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.452 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.44 -21.23 66.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.373 179.198 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.72 ' O ' HD23 ' A' ' 20' ' ' LEU . 44.5 mm-40 -74.2 -42.94 59.0 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.221 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.579 ' O ' HD12 ' B' ' 24' ' ' ILE . 0.3 OUTLIER -71.32 -38.15 68.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.785 0.326 . . . . 0.0 110.565 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -71.88 -29.73 64.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.916 0.389 . . . . 0.0 110.636 179.582 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -72.54 -41.16 66.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.118 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.739 ' O ' HG22 ' A' ' 24' ' ' ILE . 3.8 mm? -71.99 -26.15 62.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.593 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.571 ' OE1' HD11 ' B' ' 24' ' ' ILE . 1.8 tt0 -74.82 -34.83 62.41 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.422 179.45 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.48 -31.82 65.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.016 179.337 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.5 ' HB2' HD12 ' B' ' 20' ' ' LEU . 3.9 mm-40 -70.05 -49.35 52.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.989 179.764 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.739 HG22 ' O ' ' A' ' 20' ' ' LEU . 2.9 tt -65.01 -26.7 40.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 179.461 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 73.6 tt0 -64.59 -48.28 75.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.577 179.532 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.9 ttm180 -66.2 -39.3 89.56 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.821 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.802 ' O ' HG22 ' A' ' 31' ' ' ILE . 11.2 m-70 -72.35 -19.65 61.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.047 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.481 ' HB2' HD12 ' B' ' 17' ' ' ILE . 0.2 OUTLIER -79.2 -36.52 40.03 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.93 0.395 . . . . 0.0 110.552 179.714 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -75.61 -28.67 58.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.496 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.2 t -77.94 -41.81 35.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.846 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.802 HG22 ' O ' ' A' ' 27' ' ' HIS . 5.6 tp -75.74 -27.08 18.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.008 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.4 -32.4 29.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.548 179.553 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.5 tttt . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.49 179.57 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 11.5 m . . . . . 0 C--O 1.233 0.203 0 CA-C-O 120.82 0.343 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 12' ' ' HIS . . . . . 0.474 ' CE1' ' CE1' ' B' ' 13' ' ' HIS . 0.0 OUTLIER -70.79 -46.59 62.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.189 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 13' ' ' HIS . . . . . 0.565 ' HB2' HD13 ' A' ' 31' ' ' ILE . 11.5 m-70 -63.28 -26.86 68.97 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.78 0.324 . . . . 0.0 110.15 179.124 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.93 -51.9 54.47 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.463 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.38 -21.36 66.67 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.418 179.1 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.725 ' O ' HD23 ' B' ' 20' ' ' LEU . 44.7 mm-40 -74.12 -42.94 59.25 Favored 'General case' 0 N--CA 1.456 -0.144 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.29 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.592 ' O ' HD12 ' A' ' 24' ' ' ILE . 0.3 OUTLIER -71.37 -38.15 67.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-O 120.791 0.329 . . . . 0.0 110.596 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -71.76 -29.84 64.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.943 0.401 . . . . 0.0 110.655 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -72.49 -41.15 66.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.118 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.759 ' O ' HG22 ' B' ' 24' ' ' ILE . 3.8 mm? -72.1 -26.1 62.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.516 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 21' ' ' GLN . . . . . 0.564 ' OE1' HD11 ' A' ' 24' ' ' ILE . 1.8 tt0 -74.76 -34.91 62.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.409 179.433 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.43 -31.82 65.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.037 179.32 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 23' ' ' GLU . . . . . 0.519 ' HB2' HD12 ' A' ' 20' ' ' LEU . 3.9 mm-40 -70.17 -49.36 51.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.906 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.759 HG22 ' O ' ' B' ' 20' ' ' LEU . 2.9 tt -64.91 -26.84 41.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 179.453 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 73.6 tt0 -64.41 -48.39 75.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.589 179.504 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 2.9 ttm180 -66.23 -39.26 89.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.818 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' HIS . . . . . 0.808 ' O ' HG22 ' B' ' 31' ' ' ILE . 11.3 m-70 -72.36 -19.64 61.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.091 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.497 ' HB2' HD12 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -79.15 -36.53 40.3 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.845 0.355 . . . . 0.0 110.546 179.686 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -75.66 -28.64 58.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.468 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 5.3 t -77.99 -41.73 35.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.887 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.808 HG22 ' O ' ' B' ' 27' ' ' HIS . 5.6 tp . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.947 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.426 ' HB3' ' HB ' ' B' ' 31' ' ' ILE . 11.9 m-70 . . . . . 0 CA--C 1.521 -0.151 0 CA-C-O 120.776 0.322 . . . . 0.0 110.469 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.502 ' N ' HD13 ' B' ' 31' ' ' ILE . . . -67.28 -55.9 12.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.389 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.81 -13.89 62.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.62 178.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.825 ' O ' HD13 ' A' ' 20' ' ' LEU . 4.9 mm-40 -83.18 -35.26 25.63 Favored 'General case' 0 N--CA 1.457 -0.09 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.158 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.615 ' C ' HD13 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -76.17 -34.95 27.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-O 120.85 0.357 . . . . 0.0 110.465 179.658 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -77.41 -39.24 47.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.468 179.42 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 -73.5 -27.45 61.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.599 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.825 HD13 ' O ' ' A' ' 16' ' ' GLU . 3.7 mp -72.46 -40.9 66.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.109 179.354 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.418 ' HA ' HG21 ' B' ' 24' ' ' ILE . 12.6 tt0 -61.71 -47.56 84.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.595 179.512 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.3 ttpt -63.64 -31.87 73.17 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.587 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.71 -35.46 77.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.959 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.744 HG23 ' O ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -66.75 -41.73 88.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.034 0.445 . . . . 0.0 110.126 179.888 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.42 -43.92 92.98 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.492 179.647 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.76 -49.0 74.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.333 179.552 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.29 -25.83 68.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.649 179.622 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.451 ' CB ' HG13 ' B' ' 17' ' ' ILE . 0.5 OUTLIER -73.81 -33.35 64.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.925 179.868 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -73.3 -32.91 64.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.793 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -75.11 -40.65 59.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.093 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.468 ' HB ' ' HB3' ' B' ' 13' ' ' HIS . 0.0 OUTLIER -76.88 -24.55 15.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.878 0.37 . . . . 0.0 111.105 -179.886 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.3 mmtt -81.0 -31.9 34.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.483 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 35.0 tttt . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.64 179.82 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 2.9 t . . . . . 0 N--CA 1.455 -0.209 0 CA-C-O 121.061 0.457 . . . . 0.0 110.17 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 12' ' ' HIS . . . . . 0.402 ' O ' ' HG3' ' B' ' 15' ' ' LYS . 0.0 OUTLIER -73.33 -48.36 34.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.213 179.682 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 13' ' ' HIS . . . . . 0.468 ' HB3' ' HB ' ' A' ' 31' ' ' ILE . 12.9 m-70 -60.44 -28.35 68.22 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.268 179.285 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 14' ' ' ALA . . . . . 0.503 ' O ' HG22 ' B' ' 17' ' ' ILE . . . -66.16 -56.27 12.2 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.364 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 15' ' ' LYS . . . . . 0.402 ' HG3' ' O ' ' B' ' 12' ' ' HIS . 0.2 OUTLIER -67.41 -14.27 62.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.61 178.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.822 ' O ' HD13 ' B' ' 20' ' ' LEU . 4.9 mm-40 -82.6 -34.62 27.58 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.066 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.625 HD13 ' C ' ' B' ' 17' ' ' ILE . 0.0 OUTLIER -76.44 -35.19 26.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 120.86 0.362 . . . . 0.0 110.404 179.735 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -77.42 -38.97 48.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.408 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 30.2 mmt180 -73.69 -27.71 61.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.526 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.822 HD13 ' O ' ' B' ' 16' ' ' GLU . 3.6 mp -72.49 -40.81 66.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.051 179.469 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 21' ' ' GLN . . . . . 0.443 ' HA ' HG21 ' A' ' 24' ' ' ILE . 12.6 tt0 -61.76 -47.41 85.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.527 179.581 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 7.4 ttpt -63.77 -31.57 72.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.621 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.96 -35.29 76.59 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.994 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.732 HG23 ' O ' ' B' ' 20' ' ' LEU . 0.5 OUTLIER -66.94 -41.62 87.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.062 0.458 . . . . 0.0 110.103 179.909 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.58 -43.8 93.55 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.42 179.682 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.84 -49.04 74.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.256 179.537 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 27' ' ' HIS . . . . . 0.737 ' O ' HG22 ' B' ' 31' ' ' ILE . 0.2 OUTLIER -62.42 -26.11 68.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.402 179.334 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.461 ' HA ' ' CG2' ' B' ' 31' ' ' ILE . 0.4 OUTLIER -73.72 -28.97 61.99 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.886 179.824 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -76.29 -34.1 59.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.579 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 1.1 m -73.57 -41.12 63.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.773 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.737 HG22 ' O ' ' B' ' 27' ' ' HIS . 2.8 tp . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.498 ' HB2' HD13 ' B' ' 31' ' ' ILE . 7.8 m-70 . . . . . 0 CA--C 1.522 -0.122 0 CA-C-O 120.744 0.307 . . . . 0.0 110.2 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.44 ' N ' HD13 ' B' ' 31' ' ' ILE . . . -70.38 -55.2 9.67 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.089 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.6 -12.77 61.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.329 178.627 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.82 ' O ' HD23 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -83.29 -38.59 21.94 Favored 'General case' 0 N--CA 1.456 -0.175 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.165 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.662 HD12 ' CB ' ' B' ' 28' ' ' LYS . 2.6 tt -74.4 -34.37 36.14 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-O 120.877 0.37 . . . . 0.0 110.379 179.514 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -76.33 -41.65 47.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.573 179.533 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? -73.18 -25.02 60.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.659 179.726 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.82 HD23 ' O ' ' A' ' 16' ' ' GLU . 1.6 mm? -73.81 -39.67 63.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.942 179.418 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.415 ' CG ' HD13 ' B' ' 24' ' ' ILE . 3.2 mt-30 -62.67 -49.88 73.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.343 179.416 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.48 -29.51 70.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.44 179.628 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.21 -36.14 76.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.761 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.746 HG23 ' O ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -66.53 -41.73 88.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.036 0.446 . . . . 0.0 110.053 179.857 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.4 ' N ' HG13 ' A' ' 24' ' ' ILE . 10.9 tt0 -58.78 -43.87 90.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.391 179.556 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.5 tpp85 -56.1 -48.25 76.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.431 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.401 ' CG ' ' HB3' ' B' ' 16' ' ' GLU . 1.7 m-70 -63.59 -25.44 68.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.478 179.546 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.662 ' CB ' HD12 ' B' ' 17' ' ' ILE . 0.0 OUTLIER -72.35 -35.61 68.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.825 179.842 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -73.4 -31.54 63.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.975 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.3 t -73.47 -36.69 65.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.802 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.533 HD13 ' HB2' ' B' ' 13' ' ' HIS . 5.7 tp -71.11 -35.13 57.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.15 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.7 mmtp -76.4 -34.11 58.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.934 0.397 . . . . 0.0 110.76 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.3 mttt . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.449 179.77 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 18.2 p . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.776 0.322 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -76.85 -42.57 39.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.52 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 13' ' ' HIS . . . . . 0.533 ' HB2' HD13 ' A' ' 31' ' ' ILE . 7.8 m-70 -66.99 -25.58 66.38 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.146 179.122 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.1 -55.3 9.81 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.044 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.62 -12.69 61.67 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.283 178.628 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.82 ' O ' HD23 ' B' ' 20' ' ' LEU . 0.1 OUTLIER -83.44 -38.52 21.78 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.144 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.662 HD12 ' CB ' ' A' ' 28' ' ' LYS . 2.6 tt -74.53 -34.21 34.79 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-O 120.904 0.383 . . . . 0.0 110.339 179.559 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -76.5 -41.49 46.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.655 179.495 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? -73.23 -25.09 60.59 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.609 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.82 HD23 ' O ' ' B' ' 16' ' ' GLU . 1.6 mm? -73.64 -39.78 64.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 109.945 179.411 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 21' ' ' GLN . . . . . 0.413 ' CG ' HD13 ' A' ' 24' ' ' ILE . 3.2 mt-30 -62.69 -49.77 73.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.402 179.449 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.53 -29.59 70.83 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.42 179.62 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.1 -36.04 77.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.794 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.728 HG23 ' O ' ' B' ' 20' ' ' LEU . 0.5 OUTLIER -66.62 -41.62 88.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.032 0.444 . . . . 0.0 110.057 179.854 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -58.88 -43.79 91.0 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.43 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 6.5 tpp85 -56.1 -48.43 76.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.389 179.567 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 27' ' ' HIS . . . . . 0.416 ' CG ' ' HB3' ' A' ' 16' ' ' GLU . 1.7 m-70 -63.39 -25.55 68.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.525 179.614 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.662 ' CB ' HD12 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -72.23 -35.84 68.97 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.828 179.876 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -73.24 -31.31 64.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.937 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 1.3 t -73.71 -36.67 65.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.786 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.498 HD13 ' HB2' ' A' ' 13' ' ' HIS . 5.7 tp . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.185 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.518 ' O ' HG23 ' A' ' 17' ' ' ILE . 14.2 m-70 . . . . . 0 N--CA 1.456 -0.174 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.443 ' N ' HG13 ' B' ' 31' ' ' ILE . . . -58.52 -52.75 64.31 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.298 179.713 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.0 tttt -60.3 -21.93 62.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.326 179.027 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.481 ' HB3' ' CE1' ' B' ' 27' ' ' HIS . 6.7 mm-40 -75.51 -39.01 59.01 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.258 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.874 HG22 ' HB3' ' B' ' 27' ' ' HIS . 1.1 pp -70.03 -34.61 60.36 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 CA-C-O 120.963 0.411 . . . . 0.0 110.978 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.431 ' N ' HG13 ' A' ' 17' ' ' ILE . 3.6 tt0 -73.51 -41.15 63.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.826 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.4 mtt180 -69.03 -30.79 69.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.573 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.63 ' O ' HG23 ' A' ' 24' ' ' ILE . 0.1 OUTLIER -69.36 -39.87 77.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.327 179.562 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.413 ' O ' HG13 ' A' ' 24' ' ' ILE . 4.8 tp-100 -61.72 -46.73 88.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.483 179.434 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.9 mtpt -60.9 -34.14 74.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.684 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.63 -39.47 88.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.007 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.63 HG23 ' O ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -62.27 -40.76 88.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.997 0.427 . . . . 0.0 110.2 179.88 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.417 ' N ' HG13 ' A' ' 24' ' ' ILE . 17.7 tp10 -61.9 -40.87 96.92 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.36 179.579 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.26 -43.29 78.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.157 179.513 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.848 ' HB3' HG22 ' B' ' 17' ' ' ILE . 0.2 OUTLIER -67.25 -28.11 67.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.167 179.394 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.54 ' HA ' HG22 ' A' ' 31' ' ' ILE . 1.4 tmmt? -73.59 -25.72 60.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.684 179.676 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -77.14 -39.41 49.31 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.67 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.25 -36.18 68.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.827 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.54 HG22 ' HA ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -76.26 -32.82 22.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.012 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.65 -27.67 51.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.662 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.629 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 2.3 t . . . . . 0 N--CA 1.454 -0.23 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -72.77 -50.18 26.09 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.622 179.216 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 13' ' ' HIS . . . . . 0.532 ' O ' HG23 ' B' ' 17' ' ' ILE . 14.1 m-70 -58.25 -36.44 73.21 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.12 179.207 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 14' ' ' ALA . . . . . 0.448 ' N ' HG13 ' A' ' 31' ' ' ILE . . . -58.32 -52.49 65.36 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.311 179.691 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -60.73 -21.65 63.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.319 179.03 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.625 ' HB3' ' CD2' ' A' ' 27' ' ' HIS . 6.6 mm-40 -75.99 -38.2 57.68 Favored 'General case' 0 C--N 1.334 -0.097 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.271 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.848 HG22 ' HB3' ' A' ' 27' ' ' HIS . 1.1 pp -70.94 -34.24 54.96 Favored 'Isoleucine or valine' 0 C--O 1.232 0.168 0 CA-C-O 120.933 0.397 . . . . 0.0 110.976 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.427 ' N ' HG13 ' B' ' 17' ' ' ILE . 3.8 tt0 -74.23 -41.03 62.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.781 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 -68.34 -32.53 72.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.555 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.559 HD12 HG22 ' A' ' 24' ' ' ILE . 0.1 OUTLIER -66.52 -44.58 82.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.044 179.439 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 21' ' ' GLN . . . . . 0.411 ' O ' HG13 ' B' ' 24' ' ' ILE . 4.7 tp-100 -57.2 -47.49 81.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.706 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 4.8 mtpt -60.23 -33.17 71.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.626 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.48 -39.34 85.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.131 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.595 HG22 HD12 ' A' ' 20' ' ' LEU . 0.6 OUTLIER -62.64 -40.28 87.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.987 0.422 . . . . 0.0 110.255 179.919 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 25' ' ' GLU . . . . . 0.41 ' N ' HG13 ' B' ' 24' ' ' ILE . 18.1 tp10 -62.2 -40.9 97.61 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.34 179.603 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.39 -42.93 78.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.143 179.477 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 27' ' ' HIS . . . . . 0.874 ' HB3' HG22 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -67.52 -28.24 67.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.154 179.357 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.545 ' HA ' HG22 ' B' ' 31' ' ' ILE . 1.4 tmmt? -73.63 -25.71 60.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.722 179.714 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -77.19 -39.47 48.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.621 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.2 -36.18 69.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.779 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.545 HG22 ' HA ' ' B' ' 28' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.065 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.949 ' O ' HG23 ' A' ' 17' ' ' ILE . 12.6 m-70 . . . . . 0 CA--C 1.52 -0.174 0 CA-C-O 120.753 0.311 . . . . 0.0 110.383 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.402 ' O ' HG13 ' A' ' 17' ' ' ILE . . . -68.72 -55.42 11.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.256 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -62.38 -19.15 63.11 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.215 178.791 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.553 ' O ' HD12 ' A' ' 20' ' ' LEU . 6.4 mm-40 -79.32 -37.83 36.66 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.949 HG23 ' O ' ' A' ' 13' ' ' HIS . 1.1 pp -73.54 -34.67 42.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 120.88 0.371 . . . . 0.0 111.076 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.415 ' N ' HG13 ' A' ' 17' ' ' ILE . 1.7 tt0 -76.77 -36.01 57.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.661 179.737 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 30.7 ttm180 -72.66 -32.57 65.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.631 179.784 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.707 ' O ' HG23 ' A' ' 24' ' ' ILE . 15.2 mt -70.74 -40.62 72.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.292 179.621 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.43 ' HA ' HG21 ' B' ' 24' ' ' ILE . 0.0 OUTLIER -62.51 -42.36 99.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.66 179.6 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.6 mtmt -63.66 -36.29 83.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.63 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -66.18 -39.38 89.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.026 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.707 HG23 ' O ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -62.11 -40.16 86.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.054 0.454 . . . . 0.0 110.073 179.81 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.413 ' N ' HG13 ' A' ' 24' ' ' ILE . 13.4 tt0 -61.26 -41.78 97.51 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.387 179.549 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -55.67 -43.9 76.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.037 179.41 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.916 ' HB3' HG22 ' B' ' 17' ' ' ILE . 0.2 OUTLIER -65.91 -30.22 70.78 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.56 179.061 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.461 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 1.8 tmmt? -67.75 -25.72 65.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.81 179.71 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -78.84 -38.31 38.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.709 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.9 p -72.56 -31.34 65.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.396 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.72 HG21 HG21 ' B' ' 17' ' ' ILE . 3.8 tp -82.4 -28.71 8.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.718 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -81.38 -26.42 35.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.62 179.719 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.2 ttpt . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.591 179.721 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.73 0.3 . . . . 0.0 110.976 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 12' ' ' HIS . . . . . 0.429 ' CE1' ' CE1' ' B' ' 13' ' ' HIS . 0.0 OUTLIER -75.23 -46.72 32.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.425 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 13' ' ' HIS . . . . . 0.925 ' O ' HG23 ' B' ' 17' ' ' ILE . 12.7 m-70 -62.28 -27.83 69.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.711 0.291 . . . . 0.0 110.302 179.575 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 14' ' ' ALA . . . . . 0.4 ' O ' HG13 ' B' ' 17' ' ' ILE . . . -68.57 -55.58 11.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.236 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -62.35 -19.2 63.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.177 178.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.552 ' O ' HD12 ' B' ' 20' ' ' LEU . 6.4 mm-40 -79.27 -37.64 37.4 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.122 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.925 HG23 ' O ' ' B' ' 13' ' ' HIS . 1.1 pp -73.68 -34.72 42.05 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 CA-C-O 120.855 0.359 . . . . 0.0 110.984 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.414 ' N ' HG13 ' B' ' 17' ' ' ILE . 1.6 tt0 -76.7 -36.02 57.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.728 179.746 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 30.8 ttm180 -72.74 -32.56 65.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.587 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.71 ' O ' HG23 ' B' ' 24' ' ' ILE . 15.5 mt -70.79 -40.54 72.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.281 179.654 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 21' ' ' GLN . . . . . 0.418 ' HA ' HG21 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -62.63 -42.31 99.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.595 179.684 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 14.6 mtmt -63.52 -36.46 83.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.645 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -66.08 -39.45 90.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.002 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.71 HG23 ' O ' ' B' ' 20' ' ' LEU . 0.5 OUTLIER -62.25 -40.01 86.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.034 0.445 . . . . 0.0 110.101 179.86 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 25' ' ' GLU . . . . . 0.415 ' N ' HG13 ' B' ' 24' ' ' ILE . 13.5 tt0 -61.39 -41.56 97.32 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.409 179.497 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -55.92 -43.74 77.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.016 179.349 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 27' ' ' HIS . . . . . 0.901 ' HB3' HG22 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -66.18 -29.73 70.07 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.717 179.038 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.467 ' HA ' ' CG2' ' B' ' 31' ' ' ILE . 1.8 tmmt? -68.43 -25.5 65.05 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.699 179.628 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -78.93 -38.45 37.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.717 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 1.9 p -72.36 -31.72 65.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.245 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.693 HG22 ' O ' ' B' ' 27' ' ' HIS . 4.0 tp . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.672 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.578 ' HB2' HD13 ' B' ' 31' ' ' ILE . 16.3 m-70 . . . . . 0 CA--C 1.522 -0.117 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.1 -47.56 67.87 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.236 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.424 ' O ' ' CB ' ' A' ' 19' ' ' ARG . 1.8 tttp -71.1 -17.44 62.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.684 179.129 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.615 ' O ' HD12 ' A' ' 20' ' ' LEU . 9.8 mm-40 -83.34 -34.34 25.68 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.387 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.677 ' O ' HD13 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -80.67 -31.18 12.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-O 120.946 0.403 . . . . 0.0 110.526 179.789 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -82.0 -36.41 27.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.304 179.316 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.424 ' CB ' ' O ' ' A' ' 15' ' ' LYS . 2.2 tpm_? -76.07 -31.79 58.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.333 179.463 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.796 ' HB3' HG22 ' B' ' 24' ' ' ILE . 18.8 mt -72.61 -39.89 66.94 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.995 179.4 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.402 ' O ' HG13 ' A' ' 24' ' ' ILE . 0.6 OUTLIER -62.84 -42.62 99.81 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.702 179.655 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.01 -38.23 90.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.747 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.31 -39.41 93.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.175 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.795 HG22 ' HB3' ' B' ' 20' ' ' LEU . 0.5 OUTLIER -63.87 -39.08 84.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.066 0.46 . . . . 0.0 110.24 179.935 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.408 ' N ' HG13 ' A' ' 24' ' ' ILE . 3.5 mt-10 -59.94 -43.97 94.64 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.504 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -56.04 -49.99 72.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.981 0.419 . . . . 0.0 110.262 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.61 ' O ' HG22 ' A' ' 31' ' ' ILE . 0.1 OUTLIER -65.16 -23.7 67.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.624 179.469 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.463 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 0.7 OUTLIER -77.98 -25.38 48.05 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.94 179.904 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -77.9 -39.52 42.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.615 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.6 p -71.04 -37.86 72.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.907 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.61 HG22 ' O ' ' A' ' 27' ' ' HIS . 5.2 tp -75.6 -28.34 19.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.999 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.2 ttpt -76.44 -28.76 56.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.72 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.685 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 11.0 p . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 121.123 0.487 . . . . 0.0 109.7 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 12' ' ' HIS . . . . . 0.494 ' CE1' ' CE1' ' B' ' 13' ' ' HIS . 0.1 OUTLIER -77.77 -49.37 14.5 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.739 179.265 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 13' ' ' HIS . . . . . 0.565 ' HB2' HD13 ' A' ' 31' ' ' ILE . 16.4 m-70 -66.48 -25.72 66.85 Favored 'General case' 0 N--CA 1.457 -0.089 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.02 178.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.14 -47.63 67.57 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 120.987 0.422 . . . . 0.0 110.265 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 15' ' ' LYS . . . . . 0.424 ' O ' ' CB ' ' B' ' 19' ' ' ARG . 1.8 tttp -71.09 -17.4 62.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.687 179.117 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.617 ' O ' HD12 ' B' ' 20' ' ' LEU . 9.8 mm-40 -83.35 -34.32 25.66 Favored 'General case' 0 CA--C 1.527 0.089 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.464 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.675 HD13 ' O ' ' B' ' 17' ' ' ILE . 0.0 OUTLIER -80.62 -31.15 12.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.912 0.387 . . . . 0.0 110.581 179.675 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -82.04 -36.36 27.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.3 179.319 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 19' ' ' ARG . . . . . 0.424 ' CB ' ' O ' ' B' ' 15' ' ' LYS . 2.2 tpm_? -76.21 -31.69 58.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.304 179.51 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.795 ' HB3' HG22 ' A' ' 24' ' ' ILE . 18.9 mt -72.61 -39.84 66.96 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.052 179.315 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 21' ' ' GLN . . . . . 0.406 ' O ' HG13 ' B' ' 24' ' ' ILE . 0.6 OUTLIER -62.85 -42.72 99.86 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.623 179.626 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.04 -38.15 90.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.677 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.33 -39.36 93.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.125 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.796 HG22 ' HB3' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -64.04 -39.0 83.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.976 0.417 . . . . 0.0 110.195 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 25' ' ' GLU . . . . . 0.412 ' N ' HG13 ' B' ' 24' ' ' ILE . 3.5 mt-10 -59.91 -43.9 94.58 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.617 179.759 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 26.6 ttm180 -56.11 -49.96 72.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.311 179.535 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 27' ' ' HIS . . . . . 0.607 ' O ' HG22 ' B' ' 31' ' ' ILE . 0.3 OUTLIER -65.06 -23.76 67.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.626 179.382 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.467 ' HA ' ' CG2' ' B' ' 31' ' ' ILE . 0.7 OUTLIER -78.02 -25.39 47.88 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -77.8 -39.73 42.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.586 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 11.7 p -70.83 -37.89 73.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.945 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.607 HG22 ' O ' ' B' ' 27' ' ' HIS . 5.1 tp . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.948 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.466 ' HB3' ' HB ' ' B' ' 31' ' ' ILE . 17.5 m-70 . . . . . 0 CA--C 1.522 -0.134 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.442 ' N ' HG13 ' B' ' 31' ' ' ILE . . . -65.22 -47.98 74.93 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.135 179.525 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -64.49 -25.08 67.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.201 179.119 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.569 ' HB3' ' CD2' ' B' ' 27' ' ' HIS . 0.1 OUTLIER -75.22 -36.04 61.4 Favored 'General case' 0 C--N 1.334 -0.095 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.101 179.878 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.583 HD12 ' CB ' ' B' ' 28' ' ' LYS . 2.4 tt -78.17 -24.78 13.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.748 0.309 . . . . 0.0 110.709 179.782 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -81.46 -35.61 30.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.956 0.407 . . . . 0.0 110.544 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 24.1 ttt-85 -74.11 -39.75 63.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.214 179.477 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.7 HD12 HG22 ' B' ' 24' ' ' ILE . 0.0 OUTLIER -67.41 -39.77 85.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.12 179.474 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.404 ' O ' HG13 ' A' ' 24' ' ' ILE . 11.5 tt0 -63.93 -37.34 87.04 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.603 179.651 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.43 -44.75 96.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.582 179.77 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -58.52 -45.88 87.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.973 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.686 HG22 HD12 ' B' ' 20' ' ' LEU . 0.6 OUTLIER -60.99 -35.45 65.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.092 0.472 . . . . 0.0 110.056 179.831 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.409 ' N ' HG13 ' A' ' 24' ' ' ILE . 1.5 tt0 -58.97 -43.06 91.27 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.452 179.638 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.3 ttt85 -58.45 -50.57 73.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.132 179.455 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.564 ' CD2' ' HB3' ' B' ' 16' ' ' GLU . 0.2 OUTLIER -62.23 -23.75 66.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.504 179.257 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.576 ' CB ' HD12 ' B' ' 17' ' ' ILE . 11.8 ttpt -78.75 -27.9 44.8 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.783 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.401 ' HG2' ' NZ ' ' A' ' 33' ' ' LYS . 0.6 OUTLIER -73.61 -38.2 65.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.631 179.889 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 59.7 p -71.31 -43.57 66.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.878 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.485 HG22 ' HA ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -74.55 -24.16 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.315 -179.828 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.447 ' NZ ' ' HE3' ' A' ' 28' ' ' LYS . 23.5 ttmt -82.36 -26.18 33.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.426 179.446 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.401 ' NZ ' ' HG2' ' A' ' 29' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.443 179.621 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.455 -0.194 0 CA-C-O 121.059 0.457 . . . . 0.0 109.819 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 12' ' ' HIS . . . . . 0.529 ' CD2' ' CE1' ' B' ' 13' ' ' HIS . 0.3 OUTLIER -76.06 -48.4 20.99 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.725 -0.671 . . . . 0.0 109.814 179.365 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 13' ' ' HIS . . . . . 0.529 ' CE1' ' CD2' ' B' ' 12' ' ' HIS . 17.3 m-70 -65.47 -27.97 68.88 Favored 'General case' 0 CA--C 1.521 -0.15 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 178.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 14' ' ' ALA . . . . . 0.445 ' N ' HG13 ' A' ' 31' ' ' ILE . . . -64.91 -48.22 74.94 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.161 179.51 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -64.32 -25.1 67.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.303 179.11 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.564 ' HB3' ' CD2' ' A' ' 27' ' ' HIS . 0.1 OUTLIER -75.24 -36.04 61.35 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.15 179.826 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.576 HD12 ' CB ' ' A' ' 28' ' ' LYS . 2.4 tt -78.25 -24.82 13.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.759 0.314 . . . . 0.0 110.652 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -81.31 -35.74 30.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.481 179.617 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 24.5 ttt-85 -74.06 -39.72 63.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.206 179.524 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.686 HD12 HG22 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -67.42 -39.56 85.47 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.25 179.465 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -64.12 -37.3 86.97 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.509 179.559 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.36 -44.8 96.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.633 179.723 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -58.63 -45.96 88.1 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.974 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.7 HG22 HD12 ' A' ' 20' ' ' LEU . 0.6 OUTLIER -60.71 -35.79 66.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.072 0.463 . . . . 0.0 110.055 179.872 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 25' ' ' GLU . . . . . 0.415 ' N ' HG13 ' B' ' 24' ' ' ILE . 1.5 tt0 -58.62 -43.55 89.69 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.4 179.67 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 6.3 ttt85 -57.8 -50.54 72.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.084 179.451 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 27' ' ' HIS . . . . . 0.569 ' CD2' ' HB3' ' A' ' 16' ' ' GLU . 0.2 OUTLIER -62.52 -23.52 67.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.472 179.366 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.583 ' CB ' HD12 ' A' ' 17' ' ' ILE . 11.7 ttpt -78.89 -27.32 43.91 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -74.33 -38.12 63.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.557 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 59.8 p -71.43 -43.58 66.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.881 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.481 HG22 ' HA ' ' B' ' 28' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.198 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.589 ' HB2' HD13 ' B' ' 31' ' ' ILE . 15.9 m-70 . . . . . 0 N--CA 1.456 -0.174 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.27 -48.19 68.44 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.187 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.415 ' O ' ' CG ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -68.95 -18.41 64.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.538 179.094 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.566 ' O ' HD12 ' A' ' 20' ' ' LEU . 21.0 mm-40 -80.44 -38.61 29.75 Favored 'General case' 0 C--O 1.231 0.084 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.499 -179.825 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.73 ' O ' HD13 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -78.14 -29.71 15.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.919 0.39 . . . . 0.0 110.763 179.871 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -81.08 -35.26 31.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.529 179.413 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.415 ' CG ' ' O ' ' A' ' 15' ' ' LYS . 71.5 mtp180 -74.55 -34.57 62.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.509 179.583 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.817 ' HB3' HG22 ' B' ' 24' ' ' ILE . 23.0 mt -71.03 -40.55 71.66 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.083 179.457 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.401 ' O ' HG13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -61.94 -40.6 96.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.758 179.729 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -42.72 99.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.725 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.66 -39.98 93.29 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.092 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.829 HG22 ' HB3' ' B' ' 20' ' ' LEU . 0.6 OUTLIER -63.63 -36.56 76.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.982 0.42 . . . . 0.0 110.077 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.41 ' N ' HG13 ' A' ' 24' ' ' ILE . 54.0 tt0 -60.88 -44.13 97.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.477 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 31.4 ttt-85 -56.42 -50.69 70.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.202 179.502 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.675 ' O ' HG22 ' A' ' 31' ' ' ILE . 0.2 OUTLIER -63.8 -24.32 67.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.487 179.359 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.46 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 6.3 ttmt -78.36 -24.69 46.31 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -76.83 -39.99 49.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.506 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.2 m -70.35 -40.93 73.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.737 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.675 HG22 ' O ' ' A' ' 27' ' ' HIS . 4.1 tp -75.92 -27.67 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.983 0.42 . . . . 0.0 110.885 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.4 ttmm -79.12 -26.26 42.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.715 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.9 ttpp . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.673 179.816 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 17.8 m . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 12' ' ' HIS . . . . . 0.488 ' CE1' ' CE1' ' B' ' 13' ' ' HIS . 0.0 OUTLIER -77.26 -49.68 14.53 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.699 179.272 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 13' ' ' HIS . . . . . 0.592 ' HB2' HD13 ' A' ' 31' ' ' ILE . 15.9 m-70 -65.29 -26.79 68.22 Favored 'General case' 0 N--CA 1.457 -0.109 0 C-N-CA 120.714 -0.394 . . . . 0.0 109.998 178.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.18 -48.22 68.6 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.058 0.456 . . . . 0.0 110.254 179.768 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 15' ' ' LYS . . . . . 0.424 ' O ' ' CG ' ' B' ' 19' ' ' ARG . 0.0 OUTLIER -68.94 -18.38 64.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.577 179.066 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.578 ' O ' HD12 ' B' ' 20' ' ' LEU . 20.9 mm-40 -80.51 -38.63 29.42 Favored 'General case' 0 N--CA 1.458 -0.068 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.505 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.735 HD13 ' O ' ' B' ' 17' ' ' ILE . 0.0 OUTLIER -78.17 -29.58 15.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.758 0.313 . . . . 0.0 110.7 179.856 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -81.09 -35.34 31.82 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.508 179.402 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 19' ' ' ARG . . . . . 0.424 ' CG ' ' O ' ' B' ' 15' ' ' LYS . 71.5 mtp180 -74.55 -34.55 62.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.475 179.633 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.829 ' HB3' HG22 ' A' ' 24' ' ' ILE . 23.0 mt -71.06 -40.5 71.62 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.157 179.412 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 21' ' ' GLN . . . . . 0.407 ' O ' HG13 ' B' ' 24' ' ' ILE . 0.0 OUTLIER -61.98 -40.65 96.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.713 179.707 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -42.74 99.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.697 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.56 -39.97 93.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.118 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.817 HG22 ' HB3' ' A' ' 20' ' ' LEU . 0.6 OUTLIER -63.73 -36.48 76.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.023 0.44 . . . . 0.0 110.135 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 25' ' ' GLU . . . . . 0.418 ' N ' HG13 ' B' ' 24' ' ' ILE . 53.9 tt0 -60.9 -44.09 97.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.525 179.729 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 31.2 ttt-85 -56.44 -50.7 70.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.169 179.488 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 27' ' ' HIS . . . . . 0.693 ' O ' HG22 ' B' ' 31' ' ' ILE . 0.2 OUTLIER -63.89 -24.21 67.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.443 179.419 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.461 ' HA ' ' CG2' ' B' ' 31' ' ' ILE . 6.3 ttmt -78.38 -24.68 46.25 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -76.88 -39.99 49.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.48 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 2.2 m -70.35 -40.9 73.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.738 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.693 HG22 ' O ' ' B' ' 27' ' ' HIS . 4.1 tp . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.839 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.91 ' O ' HG23 ' A' ' 17' ' ' ILE . 12.6 m-70 . . . . . 0 CA--C 1.52 -0.197 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.63 -55.71 18.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.444 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.407 ' O ' ' CB ' ' A' ' 19' ' ' ARG . 0.8 OUTLIER -63.93 -15.49 59.26 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.423 178.964 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.55 ' O ' HD12 ' A' ' 20' ' ' LEU . 5.1 mm-40 -84.05 -33.23 24.49 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.978 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.91 HG23 ' O ' ' A' ' 13' ' ' HIS . 1.0 OUTLIER -76.7 -37.37 28.66 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 CA-C-O 120.954 0.407 . . . . 0.0 110.429 179.821 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -77.81 -38.78 45.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.447 179.371 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.407 ' CB ' ' O ' ' A' ' 15' ' ' LYS . 7.1 ttt180 -73.43 -27.39 61.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.34 179.529 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.717 ' HB3' HG22 ' B' ' 24' ' ' ILE . 9.5 mt -71.44 -42.9 67.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.024 179.333 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.422 ' HA ' HG21 ' B' ' 24' ' ' ILE . 11.1 tt0 -61.1 -46.85 88.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.785 179.72 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.4 ttpp -62.4 -33.24 74.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.679 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -68.46 -36.49 79.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.96 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.714 HG23 ' O ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -65.14 -41.12 90.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.003 0.43 . . . . 0.0 110.15 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.407 ' N ' HG13 ' A' ' 24' ' ' ILE . 15.2 tt0 -61.1 -42.02 97.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.325 179.607 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.1 tpt85 -58.52 -39.76 81.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.263 179.515 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.784 ' HB3' HG22 ' B' ' 17' ' ' ILE . 0.1 OUTLIER -67.97 -27.75 66.85 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.94 179.352 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.475 ' HA ' HG22 ' A' ' 31' ' ' ILE . 1.2 ttmt -72.0 -32.59 67.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.689 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -69.69 -41.88 74.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.673 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.3 t -67.98 -42.34 80.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.106 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.772 HG21 HG21 ' B' ' 17' ' ' ILE . 5.6 tp -71.57 -24.83 23.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.169 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -78.59 -35.54 45.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.925 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.0 tttp . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.729 179.92 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.867 0.365 . . . . 0.0 110.665 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -73.28 -48.24 36.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.314 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 13' ' ' HIS . . . . . 0.924 ' O ' HG23 ' B' ' 17' ' ' ILE . 13.2 m-70 -59.98 -30.27 69.01 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.268 179.556 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.24 -55.91 15.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.369 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.59 -15.85 59.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.389 179.02 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.534 ' O ' HD12 ' B' ' 20' ' ' LEU . 5.1 mm-40 -83.58 -33.69 25.34 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.962 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.924 HG23 ' O ' ' B' ' 13' ' ' HIS . 1.0 OUTLIER -76.07 -37.6 33.56 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 CA-C-O 120.948 0.404 . . . . 0.0 110.524 179.748 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -77.28 -38.89 49.87 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.446 179.468 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 -73.49 -27.07 61.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.364 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.75 ' O ' HG23 ' B' ' 24' ' ' ILE . 9.9 mt -72.27 -41.61 66.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.242 179.409 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 21' ' ' GLN . . . . . 0.426 ' HA ' HG21 ' A' ' 24' ' ' ILE . 11.3 tt0 -62.65 -46.16 89.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.549 179.628 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 1.4 ttpp -63.16 -33.34 75.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.0 0.429 . . . . 0.0 110.704 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -68.23 -36.94 80.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.99 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.75 HG23 ' O ' ' B' ' 20' ' ' LEU . 0.5 OUTLIER -64.81 -41.18 91.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.978 0.418 . . . . 0.0 110.199 179.881 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 25' ' ' GLU . . . . . 0.408 ' N ' HG13 ' B' ' 24' ' ' ILE . 15.2 tt0 -60.9 -41.82 96.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.332 179.585 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 5.2 tpt85 -58.99 -39.3 81.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.229 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 27' ' ' HIS . . . . . 0.765 ' HB3' HG22 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -68.48 -26.97 65.74 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.056 179.356 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.477 ' HA ' HG22 ' B' ' 31' ' ' ILE . 1.3 ttmt -73.17 -32.27 64.75 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.578 179.644 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -69.82 -42.0 74.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.728 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 12.4 t -67.97 -42.54 80.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.984 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.771 HG21 HG21 ' A' ' 17' ' ' ILE . 5.8 tp . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.165 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.421 ' HB3' ' HB ' ' B' ' 31' ' ' ILE . 12.1 m-70 . . . . . 0 CA--C 1.522 -0.117 0 CA-C-O 120.708 0.29 . . . . 0.0 110.442 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.4 ' N ' HD13 ' B' ' 31' ' ' ILE . . . -71.0 -54.19 12.11 Favored 'General case' 0 CA--C 1.517 -0.304 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 179.661 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.3 mtpp -69.45 -10.84 59.77 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.427 178.533 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.804 ' O ' HD23 ' A' ' 20' ' ' LEU . 13.9 mm-40 -85.88 -37.74 18.81 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 116.576 -0.283 . . . . 0.0 111.115 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.594 HD12 ' CB ' ' B' ' 28' ' ' LYS . 3.4 tt -74.95 -33.08 28.68 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-O 120.925 0.393 . . . . 0.0 110.253 179.532 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -77.18 -40.89 43.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.653 179.557 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.415 ' NH1' ' OE1' ' A' ' 23' ' ' GLU . 16.1 ttp85 -73.65 -25.83 60.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.691 179.666 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.804 HD23 ' O ' ' A' ' 16' ' ' GLU . 2.0 mm? -74.29 -39.43 62.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.143 179.485 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.497 ' HG3' HD13 ' B' ' 24' ' ' ILE . 5.7 mt-30 -63.47 -47.45 81.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.358 179.509 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.61 -30.91 71.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.523 179.672 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.415 ' OE1' ' NH1' ' A' ' 19' ' ' ARG . 0.2 OUTLIER -68.2 -37.37 80.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.911 179.838 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.772 HG22 ' HB3' ' B' ' 20' ' ' LEU . 0.5 OUTLIER -65.38 -41.79 92.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.044 0.45 . . . . 0.0 109.924 179.783 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.413 ' N ' HG13 ' A' ' 24' ' ' ILE . 0.6 OUTLIER -58.34 -44.03 88.52 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.622 179.665 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.51 -50.2 70.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.014 0.435 . . . . 0.0 110.174 179.543 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.774 ' O ' HG22 ' A' ' 31' ' ' ILE . 45.8 m-70 -62.99 -25.4 68.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.363 179.337 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.597 ' CB ' HD12 ' B' ' 17' ' ' ILE . 15.2 ttpt -74.25 -27.74 60.9 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.97 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -76.92 -35.99 56.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.619 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.7 t -72.89 -40.61 65.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.901 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.774 HG22 ' O ' ' A' ' 27' ' ' HIS . 3.4 tp -74.89 -31.28 25.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.176 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.42 -23.61 34.77 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.943 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 43.8 tttt . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.398 -179.743 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.235 0.314 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -68.27 -39.36 82.19 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.518 179.099 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 13' ' ' HIS . . . . . 0.432 ' HB3' ' HB ' ' A' ' 31' ' ' ILE . 12.1 m-70 -61.88 -25.97 67.87 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.463 179.328 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.94 -54.12 12.49 Favored 'General case' 0 CA--C 1.517 -0.292 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 179.659 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 15' ' ' LYS . . . . . 0.401 ' O ' ' HB2' ' B' ' 19' ' ' ARG . 3.3 mtpp -69.63 -10.86 59.91 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.324 178.573 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.799 ' O ' HD23 ' B' ' 20' ' ' LEU . 14.1 mm-40 -85.93 -37.6 18.9 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.167 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.597 HD12 ' CB ' ' A' ' 28' ' ' LYS . 3.5 tt -75.03 -33.13 28.38 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 CA-C-O 120.811 0.338 . . . . 0.0 110.211 179.516 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -77.14 -40.79 44.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.617 179.53 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 19' ' ' ARG . . . . . 0.417 ' NH1' ' OE1' ' B' ' 23' ' ' GLU . 16.5 ttp85 -73.82 -25.71 60.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.658 179.758 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.799 HD23 ' O ' ' B' ' 16' ' ' GLU . 1.9 mm? -74.37 -39.38 62.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.139 179.454 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 21' ' ' GLN . . . . . 0.499 ' HG3' HD13 ' A' ' 24' ' ' ILE . 5.6 mt-30 -63.5 -47.45 81.68 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.387 179.42 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.59 -30.9 71.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.496 179.673 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 23' ' ' GLU . . . . . 0.417 ' OE1' ' NH1' ' B' ' 19' ' ' ARG . 0.2 OUTLIER -68.29 -37.28 80.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.855 179.914 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.768 HG22 ' HB3' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -65.39 -41.82 92.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.014 0.435 . . . . 0.0 109.964 179.72 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 25' ' ' GLU . . . . . 0.408 ' N ' HG13 ' B' ' 24' ' ' ILE . 0.6 OUTLIER -58.43 -43.97 88.96 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.531 179.754 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.58 -50.0 71.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.016 0.436 . . . . 0.0 110.217 179.554 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 27' ' ' HIS . . . . . 0.771 ' O ' HG22 ' B' ' 31' ' ' ILE . 45.3 m-70 -63.08 -25.55 68.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.294 179.334 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.594 ' CB ' HD12 ' A' ' 17' ' ' ILE . 15.1 ttpt -74.18 -27.97 61.07 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.916 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -76.72 -35.97 57.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.61 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 14.6 t -72.78 -40.71 65.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.902 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.771 HG22 ' O ' ' B' ' 27' ' ' HIS . 3.4 tp . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.298 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.673 ' HB2' HD13 ' B' ' 31' ' ' ILE . 13.2 m-70 . . . . . 0 CA--C 1.522 -0.134 0 CA-C-O 120.765 0.317 . . . . 0.0 110.309 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.08 -45.85 90.21 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.351 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.419 ' O ' ' CB ' ' A' ' 19' ' ' ARG . 1.1 pttt -69.86 -16.42 63.25 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.364 178.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.55 ' HG2' ' CE1' ' B' ' 27' ' ' HIS . 0.0 OUTLIER -78.95 -44.29 22.84 Favored 'General case' 0 CA--C 1.528 0.109 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.508 -179.751 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.579 HD12 ' CB ' ' B' ' 28' ' ' LYS . 2.6 tt -76.41 -30.6 19.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.893 0.378 . . . . 0.0 110.576 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -79.64 -31.7 41.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.597 179.628 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.419 ' CB ' ' O ' ' A' ' 15' ' ' LYS . 51.5 ttt-85 -74.62 -40.05 61.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.764 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.951 ' CB ' HG22 ' B' ' 24' ' ' ILE . 7.6 mt -69.83 -36.02 75.24 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 179.523 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.606 ' CG ' HD13 ' B' ' 24' ' ' ILE . 7.1 mm-40 -62.27 -43.06 99.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.664 179.715 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.9 ttpt -61.2 -44.89 96.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.967 0.413 . . . . 0.0 110.51 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -58.46 -41.53 85.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.958 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.928 HG22 ' CB ' ' B' ' 20' ' ' LEU . 0.7 OUTLIER -64.86 -30.44 50.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.995 0.426 . . . . 0.0 110.321 179.935 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.427 ' N ' HG13 ' A' ' 24' ' ' ILE . 8.0 tt0 -62.72 -45.51 92.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.063 179.384 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -57.44 -50.68 72.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.086 179.274 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.79 ' O ' HG22 ' A' ' 31' ' ' ILE . 2.2 m80 -65.51 -20.34 66.3 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.544 179.245 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.584 ' CB ' HD12 ' B' ' 17' ' ' ILE . 6.9 ttpt -79.97 -26.64 39.91 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.754 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -76.95 -38.73 52.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.431 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.43 -41.1 66.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.806 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.79 HG22 ' O ' ' A' ' 27' ' ' HIS . 4.2 tp -76.36 -27.02 17.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.959 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.414 ' CB ' ' O ' ' A' ' 28' ' ' LYS . 34.5 ttpt -80.66 -25.53 38.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.531 179.457 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.9 mttm . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.855 179.879 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 C--O 1.232 0.171 0 CA-C-O 121.03 0.443 . . . . 0.0 110.174 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 12' ' ' HIS . . . . . 0.48 ' CE1' ' OE1' ' B' ' 16' ' ' GLU . 0.0 OUTLIER -69.47 -48.53 60.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.839 179.563 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 13' ' ' HIS . . . . . 0.662 ' HB2' HD13 ' A' ' 31' ' ' ILE . 13.2 m-70 -59.56 -32.93 70.8 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.333 179.329 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.22 -45.5 91.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.478 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 15' ' ' LYS . . . . . 0.426 ' O ' ' CB ' ' B' ' 19' ' ' ARG . 1.1 pttt -70.14 -16.64 63.12 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.331 178.807 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.554 ' HG2' ' CE1' ' A' ' 27' ' ' HIS . 0.0 OUTLIER -78.53 -44.48 24.22 Favored 'General case' 0 N--CA 1.457 -0.085 0 CA-C-N 116.51 -0.313 . . . . 0.0 111.585 -179.881 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.584 HD12 ' CB ' ' A' ' 28' ' ' LYS . 2.6 tt -76.27 -30.93 20.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 120.847 0.356 . . . . 0.0 110.551 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -79.13 -31.48 44.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.679 179.481 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 19' ' ' ARG . . . . . 0.426 ' CB ' ' O ' ' B' ' 15' ' ' LYS . 51.2 ttt-85 -74.8 -40.19 61.28 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.822 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.928 ' CB ' HG22 ' A' ' 24' ' ' ILE . 6.4 mt -70.48 -34.47 72.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.872 0.368 . . . . 0.0 110.017 179.592 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 21' ' ' GLN . . . . . 0.611 ' CG ' HD13 ' A' ' 24' ' ' ILE . 6.9 mm-40 -63.45 -43.1 98.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.47 179.565 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 18.6 ttpt -61.44 -44.62 96.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.963 0.411 . . . . 0.0 110.529 179.664 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -58.35 -42.01 85.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.996 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.951 HG22 ' CB ' ' A' ' 20' ' ' LEU . 0.7 OUTLIER -64.58 -30.52 50.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.977 0.418 . . . . 0.0 110.213 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 25' ' ' GLU . . . . . 0.419 ' N ' HG13 ' B' ' 24' ' ' ILE . 8.1 tt0 -62.28 -45.72 91.99 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.043 179.45 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -57.32 -50.62 72.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.067 179.263 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 27' ' ' HIS . . . . . 0.804 ' O ' HG22 ' B' ' 31' ' ' ILE . 2.2 m80 -65.59 -20.01 66.14 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.584 179.254 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.579 ' CB ' HD12 ' A' ' 17' ' ' ILE . 6.9 ttpt -80.36 -26.56 38.59 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.733 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -76.99 -38.64 52.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.452 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.42 -41.21 66.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.863 179.759 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.804 HG22 ' O ' ' B' ' 27' ' ' HIS . 4.3 tp . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.959 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.935 ' O ' HG23 ' A' ' 17' ' ' ILE . 13.3 m-70 . . . . . 0 CA--C 1.52 -0.199 0 CA-C-O 120.636 0.255 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.09 -55.28 19.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.426 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.0 mmtm -64.27 -15.21 59.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.534 179.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.606 ' HB3' ' CD2' ' B' ' 27' ' ' HIS . 3.1 mm-40 -84.34 -33.62 23.83 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.901 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.935 HG23 ' O ' ' A' ' 13' ' ' HIS . 1.0 OUTLIER -76.23 -36.95 31.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 CA-C-O 120.99 0.424 . . . . 0.0 110.51 179.724 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -77.53 -40.01 44.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.291 179.286 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.0 -27.32 62.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.245 179.511 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.695 ' HB3' HG22 ' B' ' 24' ' ' ILE . 8.5 mt -71.19 -43.04 68.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.108 179.436 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.45 ' HA ' HG21 ' B' ' 24' ' ' ILE . 0.0 OUTLIER -60.65 -46.15 91.38 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.65 179.597 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.405 ' CE ' ' HA ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -62.68 -33.46 75.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.729 179.855 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -67.99 -37.26 81.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.049 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.701 HG22 ' HB3' ' B' ' 20' ' ' LEU . 0.5 OUTLIER -64.76 -40.81 90.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.066 0.46 . . . . 0.0 110.197 179.929 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.41 ' N ' HG13 ' A' ' 24' ' ' ILE . 0.2 OUTLIER -61.39 -41.15 96.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.314 179.566 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.9 ttp180 -58.31 -41.68 85.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.238 179.479 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.764 ' HB3' HG22 ' B' ' 17' ' ' ILE . 0.1 OUTLIER -66.83 -27.14 67.31 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.942 179.277 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.473 ' HA ' HG22 ' A' ' 31' ' ' ILE . 0.2 OUTLIER -72.4 -32.11 66.11 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.644 179.686 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -69.56 -41.61 75.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.682 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.84 -44.04 78.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.016 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.784 HG21 HG21 ' B' ' 17' ' ' ILE . 5.4 tp -70.19 -25.19 27.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.09 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.9 mtpp -77.6 -35.61 52.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.953 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.3 tptt . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.713 179.876 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.891 0.377 . . . . 0.0 110.734 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -72.93 -48.9 32.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.284 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 13' ' ' HIS . . . . . 0.911 ' O ' HG23 ' B' ' 17' ' ' ILE . 13.4 m-70 -59.69 -30.18 68.61 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.339 179.543 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 14' ' ' ALA . . . . . 0.403 ' O ' HG13 ' B' ' 17' ' ' ILE . . . -65.26 -55.23 19.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.345 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 28.1 mmtm -64.18 -15.36 59.72 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.497 178.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.599 ' HB3' ' CD2' ' A' ' 27' ' ' HIS . 3.1 mm-40 -84.17 -33.71 24.15 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.977 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.911 HG23 ' O ' ' B' ' 13' ' ' HIS . 1.0 OUTLIER -76.22 -37.0 31.47 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 CA-C-O 120.928 0.394 . . . . 0.0 110.44 179.783 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -77.47 -39.99 44.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.262 179.295 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.0 -27.31 62.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.313 179.516 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.701 ' HB3' HG22 ' A' ' 24' ' ' ILE . 8.5 mt -71.19 -43.05 68.19 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.156 179.404 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 21' ' ' GLN . . . . . 0.45 ' HA ' HG21 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -60.63 -46.2 91.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.609 179.61 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 22' ' ' LYS . . . . . 0.413 ' HA ' ' CE ' ' B' ' 22' ' ' LYS . 0.0 OUTLIER -62.62 -33.52 75.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.729 179.845 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -67.96 -37.24 81.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.091 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.697 HG23 ' O ' ' B' ' 20' ' ' LEU . 0.5 OUTLIER -64.88 -40.66 89.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.074 0.464 . . . . 0.0 110.202 179.944 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 25' ' ' GLU . . . . . 0.412 ' N ' HG13 ' B' ' 24' ' ' ILE . 0.2 OUTLIER -61.52 -41.09 96.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.302 179.526 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 10.9 ttp180 -58.38 -41.7 85.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.175 179.514 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 27' ' ' HIS . . . . . 0.786 ' HB3' HG22 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -66.83 -27.1 67.27 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.966 179.276 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.475 ' HA ' HG22 ' B' ' 31' ' ' ILE . 0.2 OUTLIER -72.39 -32.11 66.13 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.653 179.645 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -69.63 -41.56 75.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.709 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.72 -44.12 78.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.98 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.778 HG21 HG21 ' A' ' 17' ' ' ILE . 5.4 tp . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.435 ' HB3' ' HB ' ' B' ' 31' ' ' ILE . 14.2 m-70 . . . . . 0 N--CA 1.456 -0.147 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.434 ' N ' HG13 ' B' ' 31' ' ' ILE . . . -65.32 -39.36 92.36 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.32 179.509 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 43.6 mttt -71.79 -23.47 61.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.433 179.193 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.424 ' CB ' ' CE1' ' B' ' 27' ' ' HIS . 0.3 OUTLIER -75.05 -41.62 58.67 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.224 179.897 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.705 HD12 ' CB ' ' B' ' 28' ' ' LYS . 2.2 tt -74.58 -34.21 34.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.745 0.307 . . . . 0.0 110.631 179.817 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -76.0 -29.47 58.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.436 179.611 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 18.8 ttp85 -73.32 -44.11 59.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.672 179.805 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.949 ' CB ' HG22 ' B' ' 24' ' ' ILE . 10.9 mt -66.31 -34.55 78.24 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.062 179.554 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.416 ' O ' HG13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -62.87 -44.04 97.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.63 179.642 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.3 mtpp -58.61 -46.52 86.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.591 179.684 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -57.76 -43.74 85.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.034 179.909 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.943 HG22 ' CB ' ' B' ' 20' ' ' LEU . 0.7 OUTLIER -63.18 -31.08 51.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 121.013 0.435 . . . . 0.0 110.188 179.934 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.425 ' N ' HG13 ' A' ' 24' ' ' ILE . 52.7 tt0 -61.6 -45.96 91.86 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.146 179.521 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.8 ttm-85 -57.22 -48.84 77.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.06 179.255 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.473 ' O ' HG22 ' A' ' 31' ' ' ILE . 0.2 OUTLIER -64.27 -22.78 67.07 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.616 179.313 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.704 ' CB ' HD12 ' B' ' 17' ' ' ILE . 0.0 OUTLIER -77.59 -30.13 52.33 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.87 179.968 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -74.41 -36.8 63.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.468 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.6 m -73.8 -42.66 60.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.904 179.872 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.473 HG22 ' O ' ' A' ' 27' ' ' HIS . 0.0 OUTLIER -76.69 -21.69 14.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.222 179.897 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.414 ' CB ' ' O ' ' A' ' 28' ' ' LYS . 3.9 ttmt -83.76 -28.46 28.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.927 0.394 . . . . 0.0 110.374 179.527 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.331 -0.215 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.505 179.71 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 26.8 t . . . . . 0 N--CA 1.454 -0.227 0 CA-C-O 121.061 0.458 . . . . 0.0 109.835 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' B' B ' 12' ' ' HIS . . . . . 0.508 ' CE1' ' CE1' ' B' ' 13' ' ' HIS . 0.0 OUTLIER -73.54 -48.22 34.72 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.859 179.539 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' B' B ' 13' ' ' HIS . . . . . 0.508 ' CE1' ' CE1' ' B' ' 12' ' ' HIS . 14.2 m-70 -63.89 -30.95 71.99 Favored 'General case' 0 CA--C 1.521 -0.153 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 178.968 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 14' ' ' ALA . . . . . 0.447 ' N ' HG13 ' A' ' 31' ' ' ILE . . . -65.23 -39.47 92.78 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.248 179.659 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 43.6 mttt -71.56 -23.59 61.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.36 179.265 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.42 ' CB ' ' CE1' ' A' ' 27' ' ' HIS . 0.3 OUTLIER -74.88 -41.94 58.81 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.15 -179.979 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.704 HD12 ' CB ' ' A' ' 28' ' ' LYS . 2.2 tt -74.33 -34.24 36.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.791 0.329 . . . . 0.0 110.653 179.869 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -76.01 -29.36 58.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.493 179.616 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 18.9 ttp85 -73.37 -44.13 59.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.663 179.808 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.943 ' CB ' HG22 ' A' ' 24' ' ' ILE . 10.8 mt -66.28 -34.6 78.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.1 179.511 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 21' ' ' GLN . . . . . 0.416 ' O ' HG13 ' B' ' 24' ' ' ILE . 0.0 OUTLIER -62.8 -44.17 96.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.562 179.695 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 7.2 mtpp -58.49 -46.58 86.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.613 179.747 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -57.67 -43.8 85.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.009 179.878 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.949 HG22 ' CB ' ' A' ' 20' ' ' LEU . 0.6 OUTLIER -63.04 -31.2 51.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.993 0.425 . . . . 0.0 110.203 179.927 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' B' B ' 25' ' ' GLU . . . . . 0.428 ' N ' HG13 ' B' ' 24' ' ' ILE . 52.5 tt0 -61.67 -45.89 92.09 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.125 179.569 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 2.8 ttm-85 -57.22 -48.82 77.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.066 179.223 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 27' ' ' HIS . . . . . 0.478 ' O ' HG22 ' B' ' 31' ' ' ILE . 0.2 OUTLIER -64.32 -22.84 67.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.617 179.318 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.705 ' CB ' HD12 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -77.57 -30.15 52.47 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 179.942 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -74.25 -36.82 63.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.606 179.832 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 3.6 m -73.87 -42.52 60.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.831 179.881 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.486 HG22 ' HA ' ' B' ' 28' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.173 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.609 ' HB2' HD13 ' B' ' 31' ' ' ILE . 16.3 m-70 . . . . . 0 CA--C 1.522 -0.121 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.88 -49.58 65.17 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.179 179.694 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.6 tttt -68.14 -19.44 64.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.423 179.004 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.403 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 10.8 mm-40 -78.4 -38.39 41.73 Favored 'General case' 0 C--N 1.334 -0.087 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.476 -179.828 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.721 ' O ' HD13 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -78.35 -27.97 14.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.836 0.351 . . . . 0.0 110.788 179.872 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -80.56 -34.45 35.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.376 179.423 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.3 mmt85 -73.45 -39.75 64.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.273 179.538 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.751 HD12 HG22 ' B' ' 24' ' ' ILE . 0.0 OUTLIER -66.52 -40.85 89.39 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.145 179.464 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.413 ' HA ' HG21 ' B' ' 24' ' ' ILE . 8.5 tt0 -60.32 -42.37 95.44 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.654 179.62 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.4 ttmt -59.94 -40.65 89.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.599 179.726 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.41 -47.88 83.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.107 179.946 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.755 HG22 HD12 ' B' ' 20' ' ' LEU . 0.6 OUTLIER -58.7 -36.14 58.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.048 0.451 . . . . 0.0 110.084 179.914 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.409 ' N ' HG13 ' A' ' 24' ' ' ILE . 0.5 OUTLIER -59.59 -43.95 93.51 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.435 179.632 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -55.75 -49.14 73.9 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.074 179.451 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.597 ' O ' HG22 ' A' ' 31' ' ' ILE . 0.5 OUTLIER -63.43 -25.92 68.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.283 179.265 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.468 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 5.5 ttmt -76.54 -25.37 54.03 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.869 179.911 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -75.72 -40.1 56.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.608 179.788 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 19.1 m -68.8 -41.73 78.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.88 179.812 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.627 HD13 ' HB2' ' B' ' 13' ' ' HIS . 4.2 tp -72.64 -26.42 23.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.949 179.884 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -75.99 -34.39 59.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.543 179.611 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.0 tmmm? . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.438 179.574 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 81.1 p . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 120.98 0.419 . . . . 0.0 109.939 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' B' B ' 12' ' ' HIS . . . . . 0.488 ' CE1' ' CE1' ' B' ' 13' ' ' HIS . 0.1 OUTLIER -78.24 -48.83 14.92 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.822 -0.627 . . . . 0.0 109.903 179.428 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' B' B ' 13' ' ' HIS . . . . . 0.627 ' HB2' HD13 ' A' ' 31' ' ' ILE . 16.3 m-70 -66.82 -25.85 66.65 Favored 'General case' 0 C--N 1.333 -0.13 0 C-N-CA 120.433 -0.507 . . . . 0.0 109.931 178.804 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.93 -49.61 64.99 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.14 179.672 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 17.5 tttt -68.08 -19.48 64.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.453 178.997 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.402 ' O ' ' HB2' ' B' ' 20' ' ' LEU . 10.8 mm-40 -78.38 -38.42 41.81 Favored 'General case' 0 C--N 1.334 -0.077 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.442 -179.806 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.726 HD13 ' O ' ' B' ' 17' ' ' ILE . 0.0 OUTLIER -78.37 -27.95 14.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.843 0.354 . . . . 0.0 110.768 179.924 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -80.5 -34.5 35.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.401 179.381 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 2.4 mmt85 -73.43 -39.67 64.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.3 179.531 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.755 HD12 HG22 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -66.65 -40.82 88.83 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.108 179.519 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -60.32 -42.33 95.37 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.659 179.619 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 3.4 ttmt -59.96 -40.72 90.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.575 179.728 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.33 -47.9 83.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 179.934 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.751 HG22 HD12 ' A' ' 20' ' ' LEU . 0.6 OUTLIER -58.73 -36.13 59.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.01 0.433 . . . . 0.0 110.045 179.949 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' B' B ' 25' ' ' GLU . . . . . 0.41 ' N ' HG13 ' B' ' 24' ' ' ILE . 0.5 OUTLIER -59.58 -44.02 93.45 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.427 179.623 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -55.69 -49.13 73.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.07 179.44 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 27' ' ' HIS . . . . . 0.604 ' O ' HG22 ' B' ' 31' ' ' ILE . 0.4 OUTLIER -63.47 -25.93 68.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.271 179.279 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.455 ' HA ' ' CG2' ' B' ' 31' ' ' ILE . 5.4 ttmt -76.51 -25.34 54.09 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.879 179.886 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -75.8 -40.1 55.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.569 179.811 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 19.2 m -68.81 -41.75 78.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.851 179.853 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.609 HD13 ' HB2' ' A' ' 13' ' ' HIS . 4.2 tp . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.931 179.94 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.494 ' HB3' ' HB ' ' B' ' 31' ' ' ILE . 16.1 m-70 . . . . . 0 N--CA 1.454 -0.227 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.83 -34.94 79.31 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-O 121.243 0.544 . . . . 0.0 109.95 179.215 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.7 ttpt -74.43 -24.71 59.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.053 178.829 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.605 ' HG2' ' CE1' ' B' ' 27' ' ' HIS . 0.0 OUTLIER -74.09 -42.9 59.4 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.601 179.998 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.747 HD12 ' CB ' ' B' ' 28' ' ' LYS . 1.4 tt -74.79 -27.32 20.35 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-O 120.894 0.378 . . . . 0.0 110.417 179.642 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.99 -36.2 59.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.82 179.649 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -73.28 -43.01 61.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.63 179.799 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.812 ' O ' HG23 ' A' ' 24' ' ' ILE . 1.4 tp -68.62 -33.01 73.3 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.013 179.627 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.42 -41.73 96.44 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.394 179.418 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.48 -46.02 91.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.41 179.554 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.474 ' C ' HD23 ' B' ' 20' ' ' LEU . 0.2 OUTLIER -56.63 -44.78 81.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.75 179.645 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.812 HG23 ' O ' ' A' ' 20' ' ' LEU . 0.6 OUTLIER -68.4 -24.19 29.24 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.054 179.629 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.449 ' HA ' ' CG ' ' A' ' 28' ' ' LYS . 0.2 OUTLIER -73.84 -25.64 60.18 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.553 179.84 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -78.0 -45.83 22.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.448 179.644 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.486 ' CG ' ' HB3' ' B' ' 16' ' ' GLU . 1.2 m-70 -72.74 -25.83 61.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.089 179.842 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.748 ' CB ' HD12 ' B' ' 17' ' ' ILE . 0.0 OUTLIER -80.96 -29.73 35.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.82 0.343 . . . . 0.0 110.279 179.659 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.42 ' HB2' ' HE2' ' A' ' 28' ' ' LYS . 35.1 tt0 -70.46 -39.71 74.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.392 179.532 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.68 -44.26 67.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.749 179.767 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.598 HG22 ' HA ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -70.12 -23.64 25.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.145 -179.948 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.59 ' HD2' HG23 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -78.44 -33.34 48.54 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.618 179.611 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.9 mttm . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.594 179.831 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 1.5 t . . . . . 0 N--CA 1.455 -0.211 0 N-CA-C 109.724 -0.472 . . . . 0.0 109.724 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' B' B ' 12' ' ' HIS . . . . . 0.493 ' CE1' ' CE1' ' B' ' 13' ' ' HIS . 0.0 OUTLIER -69.8 -50.3 44.35 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.513 179.194 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' B' B ' 13' ' ' HIS . . . . . 0.498 ' HB3' ' HB ' ' A' ' 31' ' ' ILE . 16.4 m-70 -63.51 -27.6 69.38 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 178.633 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.93 -34.85 79.07 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.211 0.529 . . . . 0.0 109.891 179.252 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 4.8 ttpt -74.56 -24.66 58.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.934 178.895 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.486 ' HB3' ' CG ' ' A' ' 27' ' ' HIS . 0.0 OUTLIER -74.18 -42.79 59.31 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.552 -179.979 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.748 HD12 ' CB ' ' A' ' 28' ' ' LYS . 1.4 tt -74.86 -27.38 20.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.793 0.33 . . . . 0.0 110.318 179.64 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.01 -36.23 59.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.746 179.731 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -73.26 -43.1 61.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.62 179.806 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.81 ' O ' HG23 ' B' ' 24' ' ' ILE . 1.4 tp -68.55 -32.95 73.24 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.073 179.567 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.44 -41.74 96.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.378 179.439 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.48 -46.01 91.64 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.444 179.551 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 23' ' ' GLU . . . . . 0.472 ' C ' HD23 ' A' ' 20' ' ' LEU . 0.3 OUTLIER -56.74 -44.65 81.88 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.768 179.711 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.81 HG23 ' O ' ' B' ' 20' ' ' LEU . 0.6 OUTLIER -68.45 -24.25 29.2 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.022 179.579 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' B' B ' 25' ' ' GLU . . . . . 0.451 ' HA ' ' CG ' ' B' ' 28' ' ' LYS . 0.2 OUTLIER -73.78 -25.65 60.24 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.605 179.809 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -77.98 -45.91 22.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.411 179.662 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 27' ' ' HIS . . . . . 0.605 ' CE1' ' HG2' ' A' ' 16' ' ' GLU . 0.2 OUTLIER -72.68 -25.83 61.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.072 179.873 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.747 ' CB ' HD12 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -80.99 -29.73 35.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.925 0.393 . . . . 0.0 110.294 179.669 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' B' B ' 29' ' ' GLN . . . . . 0.414 ' HB2' ' HE2' ' B' ' 28' ' ' LYS . 35.2 tt0 -70.52 -39.54 74.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.392 179.539 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.78 -44.28 66.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.695 179.758 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.597 HG22 ' HA ' ' B' ' 28' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.213 -179.956 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.923 ' O ' HG23 ' A' ' 17' ' ' ILE . 11.0 m-70 . . . . . 0 C--O 1.224 -0.246 0 N-CA-C 110.369 -0.234 . . . . 0.0 110.369 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.401 ' O ' HG13 ' A' ' 17' ' ' ILE . . . -65.41 -56.37 12.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.875 0.369 . . . . 0.0 110.236 -179.944 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.4 ' O ' ' CG ' ' A' ' 19' ' ' ARG . 0.2 OUTLIER -64.15 -15.82 60.6 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.228 178.676 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.833 ' O ' HD23 ' A' ' 20' ' ' LEU . 12.8 tp10 -82.6 -33.78 27.87 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.041 179.887 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.923 HG23 ' O ' ' A' ' 13' ' ' HIS . 1.1 pp -74.57 -36.43 41.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 CA-C-O 120.928 0.394 . . . . 0.0 110.554 179.684 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -76.18 -41.53 49.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.403 179.443 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.4 ' CG ' ' O ' ' A' ' 15' ' ' LYS . 1.4 mmp_? -70.94 -26.45 63.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.444 179.565 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.833 HD23 ' O ' ' A' ' 16' ' ' GLU . 1.4 mm? -70.98 -43.47 67.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.99 179.354 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.448 ' HA ' HG21 ' B' ' 24' ' ' ILE . 12.0 tt0 -59.55 -49.29 78.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.651 179.617 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.403 ' O ' ' HE3' ' A' ' 22' ' ' LYS . 0.1 OUTLIER -63.35 -34.29 77.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.936 0.398 . . . . 0.0 110.621 179.837 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -64.85 -34.88 79.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.952 179.896 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.724 HG23 ' O ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -67.67 -42.74 86.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.009 0.433 . . . . 0.0 109.95 179.889 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.405 ' N ' HG13 ' A' ' 24' ' ' ILE . 2.5 tt0 -59.81 -41.57 91.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.306 179.504 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.19 -38.66 83.95 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.235 179.435 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.771 ' HB3' HG22 ' B' ' 17' ' ' ILE . 0.1 OUTLIER -66.36 -28.27 68.52 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.06 179.282 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.479 ' HG2' HD13 ' B' ' 17' ' ' ILE . 32.8 mtpt -72.82 -30.88 64.4 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.672 179.59 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -70.63 -40.63 72.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.673 179.867 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.47 -44.14 75.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.904 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.758 HG21 HG21 ' B' ' 17' ' ' ILE . 5.4 tp -70.35 -25.78 27.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.194 -179.94 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.9 mtpt -79.21 -32.91 44.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.025 179.926 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.8 tttt . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 179.946 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 21.2 m . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.88 0.371 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -72.31 -43.36 64.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.314 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 13' ' ' HIS . . . . . 0.915 ' O ' HG23 ' B' ' 17' ' ' ILE . 11.2 m-70 -61.11 -32.65 72.33 Favored 'General case' 0 CA--C 1.519 -0.219 0 C-N-CA 120.914 -0.314 . . . . 0.0 110.437 179.576 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 14' ' ' ALA . . . . . 0.407 ' O ' HG13 ' B' ' 17' ' ' ILE . . . -65.36 -56.22 13.8 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.247 -179.947 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 15' ' ' LYS . . . . . 0.408 ' O ' ' CG ' ' B' ' 19' ' ' ARG . 0.2 OUTLIER -64.38 -15.68 60.91 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.181 178.688 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.825 ' O ' HD23 ' B' ' 20' ' ' LEU . 12.6 tp10 -82.66 -33.82 27.64 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.964 179.857 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.915 HG23 ' O ' ' B' ' 13' ' ' HIS . 1.1 pp -74.6 -36.54 41.28 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.158 0 CA-C-O 121.002 0.429 . . . . 0.0 110.565 179.739 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -76.37 -40.96 49.7 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.369 179.475 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 19' ' ' ARG . . . . . 0.408 ' CG ' ' O ' ' B' ' 15' ' ' LYS . 1.5 mmp_? -71.28 -26.2 62.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.458 179.501 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.825 HD23 ' O ' ' B' ' 16' ' ' GLU . 1.4 mm? -71.1 -43.7 67.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.004 179.483 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 21' ' ' GLN . . . . . 0.453 ' HA ' HG21 ' A' ' 24' ' ' ILE . 10.9 tt0 -60.39 -47.69 85.0 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.562 179.506 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.59 -31.68 72.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.659 179.737 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 23' ' ' GLU . . . . . 0.409 ' OE1' ' CD1' ' A' ' 20' ' ' LEU . 33.2 tt0 -69.77 -34.15 73.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.08 -179.883 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.717 HG23 ' O ' ' B' ' 20' ' ' LEU . 0.5 OUTLIER -67.67 -42.56 86.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.036 0.446 . . . . 0.0 110.063 179.858 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' B' B ' 25' ' ' GLU . . . . . 0.404 ' N ' HG13 ' B' ' 24' ' ' ILE . 2.4 tt0 -59.99 -41.58 92.37 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.238 179.425 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.13 -38.37 82.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.234 179.388 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 27' ' ' HIS . . . . . 0.789 ' HB3' HG22 ' A' ' 17' ' ' ILE . 0.8 OUTLIER -66.69 -28.28 68.32 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.978 179.31 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.472 ' HG2' HD13 ' A' ' 17' ' ' ILE . 33.0 mtpt -73.02 -30.64 63.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.635 179.694 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -70.8 -40.56 72.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.807 179.729 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.43 -44.2 75.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.803 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.753 HG21 HG21 ' A' ' 17' ' ' ILE . 5.4 tp . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.233 -179.943 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.476 ' HB3' ' HB ' ' B' ' 31' ' ' ILE . 19.4 m-70 . . . . . 0 N--CA 1.457 -0.106 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.538 ' N ' HD13 ' B' ' 31' ' ' ILE . . . -67.82 -46.0 73.1 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.322 179.795 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.413 ' O ' ' CB ' ' A' ' 19' ' ' ARG . 9.9 tttp -70.99 -20.28 62.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.584 179.328 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.564 ' O ' HD12 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -80.0 -35.63 37.1 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.48 -179.858 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.461 ' C ' HD13 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -79.6 -33.68 15.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.842 0.353 . . . . 0.0 110.587 179.882 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -80.13 -30.84 39.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.495 179.48 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.429 ' O ' ' CG ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -76.7 -38.93 53.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.628 179.779 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.917 ' HB3' HG22 ' B' ' 24' ' ' ILE . 17.6 mt -71.36 -33.97 70.04 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.331 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.417 ' O ' HG13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -63.64 -45.77 88.71 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.948 179.781 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.429 ' CG ' ' O ' ' A' ' 19' ' ' ARG . 6.0 pttt -61.69 -40.87 96.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.939 0.4 . . . . 0.0 110.464 179.737 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.423 ' N ' ' HG3' ' A' ' 22' ' ' LYS . 0.3 OUTLIER -59.69 -42.77 93.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.834 179.681 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.877 HG22 ' HB3' ' B' ' 20' ' ' LEU . 0.7 OUTLIER -63.58 -31.83 54.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 121.064 0.459 . . . . 0.0 110.049 179.771 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.424 ' N ' HG13 ' A' ' 24' ' ' ILE . 4.3 tt0 -61.57 -43.66 98.44 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.184 179.506 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -58.81 -50.84 72.45 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.192 179.308 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.558 ' CE1' ' HG2' ' B' ' 16' ' ' GLU . 7.0 m80 -65.51 -19.44 65.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.492 179.184 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.479 ' HA ' HG22 ' A' ' 31' ' ' ILE . 4.6 ttmt -77.62 -32.53 53.51 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.702 179.826 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -72.8 -39.72 66.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.582 179.929 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.52 -39.7 77.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.832 179.811 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.527 HG22 ' O ' ' A' ' 27' ' ' HIS . 7.2 tp -74.53 -26.66 20.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.205 -179.957 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.2 ttmt -79.99 -29.79 39.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.761 179.896 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.3 tptt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.608 179.779 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.249 0 CA-C-O 121.025 0.441 . . . . 0.0 109.869 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 12' ' ' HIS . . . . . 0.5 ' CD2' ' OE1' ' B' ' 16' ' ' GLU . 0.1 OUTLIER -79.0 -48.56 14.22 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.846 179.389 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' B' B ' 13' ' ' HIS . . . . . 0.484 ' CE1' ' CE1' ' B' ' 12' ' ' HIS . 17.6 m-70 -68.25 -26.78 65.85 Favored 'General case' 0 CA--C 1.522 -0.103 0 C-N-CA 120.494 -0.482 . . . . 0.0 109.923 178.706 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 14' ' ' ALA . . . . . 0.413 ' N ' HD13 ' A' ' 31' ' ' ILE . . . -68.04 -45.78 72.97 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.379 -179.921 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 15' ' ' LYS . . . . . 0.417 ' O ' ' CB ' ' B' ' 19' ' ' ARG . 9.7 tttp -71.43 -20.12 62.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.526 179.187 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.575 ' O ' HD12 ' B' ' 20' ' ' LEU . 0.0 OUTLIER -80.28 -35.79 35.39 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.54 -179.876 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.457 HD13 ' C ' ' B' ' 17' ' ' ILE . 0.0 OUTLIER -79.89 -33.1 14.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.832 0.349 . . . . 0.0 110.531 179.834 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -80.33 -30.83 38.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.508 179.36 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 19' ' ' ARG . . . . . 0.425 ' O ' ' CG ' ' B' ' 22' ' ' LYS . 0.0 OUTLIER -76.92 -38.67 52.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.708 179.721 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.877 ' HB3' HG22 ' A' ' 24' ' ' ILE . 17.1 mt -71.76 -33.18 68.43 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 179.286 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 21' ' ' GLN . . . . . 0.415 ' O ' HG13 ' B' ' 24' ' ' ILE . 0.0 OUTLIER -64.4 -45.87 85.78 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.833 179.605 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' B' B ' 22' ' ' LYS . . . . . 0.425 ' CG ' ' O ' ' B' ' 19' ' ' ARG . 6.1 pttt -61.58 -40.9 96.44 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.878 0.37 . . . . 0.0 110.444 179.83 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 23' ' ' GLU . . . . . 0.419 ' N ' ' HG3' ' B' ' 22' ' ' LYS . 0.3 OUTLIER -59.6 -43.27 93.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.779 179.69 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.917 HG22 ' HB3' ' A' ' 20' ' ' LEU . 0.7 OUTLIER -63.58 -31.04 51.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.998 0.428 . . . . 0.0 110.029 179.873 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' B' B ' 25' ' ' GLU . . . . . 0.431 ' HA ' ' HE2' ' B' ' 28' ' ' LYS . 4.2 tt0 -62.23 -43.59 98.49 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.139 179.605 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -58.71 -49.79 76.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.041 179.317 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 27' ' ' HIS . . . . . 0.782 ' O ' HG22 ' B' ' 31' ' ' ILE . 7.3 m80 -65.73 -21.17 66.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.67 179.422 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.451 ' HA ' ' CG2' ' B' ' 31' ' ' ILE . 15.6 ttpt -75.83 -33.57 60.07 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.546 179.652 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -71.5 -38.33 71.17 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.492 179.933 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.22 -41.78 69.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.168 179.892 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.782 HG22 ' O ' ' B' ' 27' ' ' HIS . 4.5 tp . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.139 -179.942 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.684 ' HB2' HD13 ' B' ' 31' ' ' ILE . 9.2 m-70 . . . . . 0 CA--C 1.521 -0.164 0 CA-C-O 120.808 0.337 . . . . 0.0 110.241 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.11 -47.73 70.27 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.873 179.587 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.68 -17.52 64.61 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.255 178.716 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.482 ' HB3' ' CE1' ' B' ' 27' ' ' HIS . 25.7 mm-40 -77.15 -47.79 19.42 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.433 -179.846 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.714 HD12 ' CB ' ' B' ' 28' ' ' LYS . 3.4 tt -73.84 -28.16 23.79 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-O 120.921 0.391 . . . . 0.0 110.644 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -79.34 -32.2 43.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.227 179.371 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 37.7 ttt180 -70.03 -45.0 68.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.542 179.567 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.931 ' CB ' HG22 ' B' ' 24' ' ' ILE . 4.1 mt -66.07 -38.22 87.77 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.108 179.498 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.408 ' O ' HG13 ' A' ' 24' ' ' ILE . 9.4 tt0 -62.28 -34.24 76.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.547 179.673 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.7 ttmt -63.88 -50.63 68.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.431 179.513 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -56.55 -42.8 79.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.834 179.721 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.918 HG22 ' CB ' ' B' ' 20' ' ' LEU . 0.6 OUTLIER -64.19 -30.06 49.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.813 179.696 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.426 ' HA ' ' HG2' ' A' ' 28' ' ' LYS . 5.2 tt0 -60.99 -46.29 91.33 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.112 179.47 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 63.3 ttt180 -58.5 -46.05 87.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.126 0.489 . . . . 0.0 110.045 179.217 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.738 ' O ' HG22 ' A' ' 31' ' ' ILE . 0.3 OUTLIER -66.62 -21.53 66.12 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.994 179.518 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.729 ' CB ' HD12 ' B' ' 17' ' ' ILE . 0.0 OUTLIER -80.93 -25.94 37.08 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.836 0.35 . . . . 0.0 110.744 -179.993 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -73.81 -43.15 59.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.148 179.602 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.23 -49.21 68.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.663 179.577 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.738 HG22 ' O ' ' A' ' 27' ' ' HIS . 4.3 tp -67.9 -27.37 37.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.173 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.423 ' CB ' ' O ' ' A' ' 28' ' ' LYS . 21.2 ttmt -79.21 -21.14 46.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.981 179.784 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.351 -179.807 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 3.6 p . . . . . 0 N--CA 1.451 -0.41 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -68.9 -45.81 69.94 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.603 178.732 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 13' ' ' HIS . . . . . 0.697 ' HB2' HD13 ' A' ' 31' ' ' ILE . 9.2 m-70 -59.98 -27.75 67.1 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.234 179.158 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.46 -48.07 71.08 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.876 179.701 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.36 -17.32 64.7 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.285 178.566 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.486 ' HB3' ' CE1' ' A' ' 27' ' ' HIS . 25.7 mm-40 -77.21 -47.54 19.97 Favored 'General case' 0 CA--C 1.528 0.113 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.582 -179.904 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.729 HD12 ' CB ' ' A' ' 28' ' ' LYS . 3.4 tt -74.1 -28.15 23.09 Favored 'Isoleucine or valine' 0 C--O 1.231 0.124 0 CA-C-O 120.93 0.395 . . . . 0.0 110.598 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -79.24 -32.26 43.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.263 179.344 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 37.3 ttt180 -70.19 -45.08 67.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.505 179.62 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.918 ' CB ' HG22 ' A' ' 24' ' ' ILE . 4.2 mt -65.9 -38.26 88.27 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.074 179.474 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 21' ' ' GLN . . . . . 0.409 ' O ' HG13 ' B' ' 24' ' ' ILE . 9.4 tt0 -62.27 -34.35 76.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.591 179.63 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 13.6 ttmt -63.77 -50.41 69.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.488 179.555 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -56.86 -42.71 80.21 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.835 179.672 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.931 HG22 ' CB ' ' A' ' 20' ' ' LEU . 0.6 OUTLIER -64.18 -29.67 47.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.066 0.46 . . . . 0.0 109.81 179.7 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' B' B ' 25' ' ' GLU . . . . . 0.432 ' HA ' ' HG2' ' B' ' 28' ' ' LYS . 5.2 tt0 -61.57 -46.77 88.45 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.125 179.522 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 62.5 ttt180 -57.95 -45.99 85.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.101 0.477 . . . . 0.0 110.032 179.22 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 27' ' ' HIS . . . . . 0.814 ' O ' HG22 ' B' ' 31' ' ' ILE . 0.3 OUTLIER -66.55 -22.56 66.15 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.894 179.589 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.714 ' CB ' HD12 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -79.69 -26.27 41.0 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.804 0.335 . . . . 0.0 110.793 -179.962 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -73.77 -42.74 60.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.255 179.619 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.81 -47.74 71.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.866 179.667 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.814 HG22 ' O ' ' B' ' 27' ' ' HIS . 3.6 tp . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.985 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.639 ' HB2' HD13 ' B' ' 31' ' ' ILE . 3.4 m-70 . . . . . 0 CA--C 1.52 -0.174 0 CA-C-O 120.751 0.31 . . . . 0.0 110.272 . . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.8 -49.01 64.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.085 179.793 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 47.8 mttm -67.46 -20.42 65.48 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.48 179.07 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.463 ' O ' HD23 ' A' ' 20' ' ' LEU . 6.9 mm-40 -77.09 -42.03 39.78 Favored 'General case' 0 C--N 1.334 -0.09 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.598 -179.752 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.861 ' O ' HD13 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -77.93 -25.88 14.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.851 0.358 . . . . 0.0 110.604 179.883 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -80.07 -32.5 39.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.131 179.281 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.7 ttp85 -72.74 -47.49 46.47 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.299 179.453 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.888 ' HB3' HG22 ' B' ' 24' ' ' ILE . 2.9 mm? -65.05 -37.71 88.46 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.729 179.224 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.406 ' O ' HG13 ' A' ' 24' ' ' ILE . 1.0 OUTLIER -62.34 -35.12 78.11 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.328 179.453 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.6 ttpt -61.46 -51.02 70.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.392 179.602 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -56.86 -44.17 81.92 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.674 179.734 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.905 HG22 ' HB3' ' B' ' 20' ' ' LEU . 0.7 OUTLIER -62.66 -29.09 46.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.701 179.633 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -67.27 -36.21 81.11 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.301 179.689 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.48 -53.63 51.94 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.828 179.279 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.62 ' O ' HG22 ' A' ' 31' ' ' ILE . 0.2 OUTLIER -64.79 -23.49 67.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.049 178.875 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.489 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 23.4 ttmt -77.81 -24.71 48.67 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.97 179.805 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -75.5 -42.95 51.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.382 179.748 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 50.7 m -66.37 -43.89 84.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.875 179.764 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.62 HG22 ' O ' ' A' ' 27' ' ' HIS . 4.0 tp -70.18 -32.7 51.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.161 -179.9 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -76.66 -19.46 57.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.825 179.423 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.332 -0.182 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.263 -179.768 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.451 -0.407 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 . . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 12' ' ' HIS . . . . . 0.575 ' CD2' ' CE1' ' B' ' 13' ' ' HIS . 0.0 OUTLIER -71.27 -39.3 71.63 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.961 179.1 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' B' B ' 13' ' ' HIS . . . . . 0.575 ' CE1' ' CD2' ' B' ' 12' ' ' HIS . 3.5 m-70 -66.3 -26.71 67.44 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-O 120.779 0.323 . . . . 0.0 110.284 179.034 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.6 -49.07 62.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.145 179.829 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 47.6 mttm -67.27 -20.69 65.68 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.454 179.001 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.466 ' CB ' ' CE1' ' A' ' 27' ' ' HIS . 7.0 mm-40 -76.64 -42.51 41.81 Favored 'General case' 0 CA--C 1.527 0.093 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.532 -179.883 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.845 HD13 ' O ' ' B' ' 17' ' ' ILE . 0.0 OUTLIER -77.4 -25.92 15.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.832 0.349 . . . . 0.0 110.647 179.913 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -80.0 -32.56 39.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.245 179.32 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 4.7 ttp85 -72.59 -47.37 48.47 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.311 179.458 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.905 ' HB3' HG22 ' A' ' 24' ' ' ILE . 2.9 mm? -65.34 -37.59 87.55 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.728 179.32 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 21' ' ' GLN . . . . . 0.408 ' O ' HG13 ' B' ' 24' ' ' ILE . 1.0 OUTLIER -62.22 -35.32 78.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.296 179.392 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 14.6 ttpt -61.38 -51.12 70.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.423 179.635 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -56.72 -44.1 81.28 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.756 179.657 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.888 HG22 ' HB3' ' A' ' 20' ' ' LEU . 0.7 OUTLIER -62.56 -29.36 46.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.656 179.637 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -67.03 -36.29 81.75 Favored 'General case' 0 N--CA 1.456 -0.144 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.341 179.704 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.38 -53.44 54.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.906 179.3 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 27' ' ' HIS . . . . . 0.486 ' O ' HG22 ' B' ' 31' ' ' ILE . 0.2 OUTLIER -65.14 -22.99 67.0 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.142 178.79 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.481 ' HA ' ' CG2' ' B' ' 31' ' ' ILE . 22.9 ttmt -78.63 -23.91 45.58 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.969 179.838 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -76.23 -43.54 41.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.321 179.726 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 51.6 m -65.32 -44.81 86.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.734 179.538 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.639 HD13 ' HB2' ' A' ' 13' ' ' HIS . 5.1 tp . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.284 179.99 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.669 ' O ' HG23 ' A' ' 17' ' ' ILE . 18.2 m-70 . . . . . 0 CA--C 1.52 -0.177 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 . . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.31 -50.18 66.67 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.451 179.735 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.4 mtpm? -58.14 -32.06 67.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.062 179.344 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.602 ' HB3' ' CD2' ' B' ' 27' ' ' HIS . 0.0 OUTLIER -65.25 -51.28 61.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.946 179.794 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.809 HG22 ' HB3' ' B' ' 27' ' ' HIS . 0.9 OUTLIER -62.35 -22.44 29.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.902 -179.98 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -76.16 -37.29 58.12 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.428 179.818 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -65.31 -51.38 60.99 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.199 179.444 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.611 ' CB ' HG22 ' B' ' 24' ' ' ILE . 4.5 mt -59.93 -43.62 94.81 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 179.192 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.411 ' HA ' HG21 ' B' ' 24' ' ' ILE . 0.5 OUTLIER -60.27 -29.31 68.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.354 179.476 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.0 ttpt -62.86 -48.22 79.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.991 179.481 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -59.27 -49.33 78.27 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.66 179.508 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.606 HG22 ' CB ' ' B' ' 20' ' ' LEU . 0.6 OUTLIER -60.37 -26.87 38.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.93 179.68 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -68.98 -35.58 76.88 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.02 179.532 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 11.4 ttt180 -62.01 -48.52 79.93 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.84 179.069 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.831 ' HB3' HG22 ' B' ' 17' ' ' ILE . 0.2 OUTLIER -66.05 -28.61 68.97 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.66 178.852 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.556 ' HA ' HG22 ' A' ' 31' ' ' ILE . 2.0 ttmt -76.65 -19.6 57.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.826 179.621 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.439 ' HA ' ' CD ' ' A' ' 32' ' ' LYS . 9.5 tt0 -78.19 -41.9 33.14 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.855 0.36 . . . . 0.0 110.495 179.845 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.64 -40.27 73.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.849 179.838 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.556 HG22 ' HA ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -74.13 -33.37 35.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.316 -179.769 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.439 ' CD ' ' HA ' ' A' ' 29' ' ' GLN . 12.0 pttt -78.17 -24.48 47.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.748 0.309 . . . . 0.0 110.316 179.449 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.7 mtpt . . . . . 0 C--N 1.331 -0.218 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.376 179.494 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 . . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 12' ' ' HIS . . . . . 0.418 ' CE1' ' CE1' ' B' ' 13' ' ' HIS . 0.1 OUTLIER -78.31 -51.76 9.64 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.424 179.064 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' B' B ' 13' ' ' HIS . . . . . 0.654 ' O ' HG23 ' B' ' 17' ' ' ILE . 19.0 m-70 -63.89 -28.38 69.8 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 178.841 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.1 -50.35 66.43 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.425 179.746 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 3.3 mtpm? -57.63 -32.37 67.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.08 179.369 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.578 ' HB3' ' CD2' ' A' ' 27' ' ' HIS . 0.1 OUTLIER -64.87 -51.77 60.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.982 179.716 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.831 HG22 ' HB3' ' A' ' 27' ' ' HIS . 0.9 OUTLIER -61.84 -22.4 28.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.907 -179.962 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -76.03 -37.41 58.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.468 179.835 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -65.43 -51.53 59.62 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.143 179.437 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.606 ' CB ' HG22 ' A' ' 24' ' ' ILE . 4.4 mt -59.91 -43.12 95.07 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.681 179.184 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 21' ' ' GLN . . . . . 0.402 ' HA ' HG21 ' A' ' 24' ' ' ILE . 0.5 OUTLIER -60.93 -28.98 69.34 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.36 179.413 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 5.0 ttpt -63.1 -47.98 80.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.973 179.435 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -59.47 -49.06 79.25 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.734 179.554 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.611 HG22 ' CB ' ' A' ' 20' ' ' LEU . 0.6 OUTLIER -60.75 -26.83 39.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.854 179.618 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -68.82 -35.68 77.28 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.024 179.507 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 11.3 ttt180 -62.05 -48.39 80.46 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.683 179.074 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 27' ' ' HIS . . . . . 0.809 ' HB3' HG22 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -66.26 -27.94 68.33 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.838 178.864 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.557 ' HA ' HG22 ' B' ' 31' ' ' ILE . 1.9 ttmt -77.64 -19.3 55.67 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.774 179.456 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -78.39 -41.79 32.16 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.545 179.768 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.63 -40.6 73.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.874 179.729 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.557 HG22 ' HA ' ' B' ' 28' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.413 -179.838 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.935 ' O ' HG23 ' A' ' 17' ' ' ILE . 14.8 m-70 . . . . . 0 N--CA 1.455 -0.187 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 . . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.79 -49.65 61.19 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.351 179.982 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.0 mmtp -65.98 -22.44 66.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.177 179.075 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.417 ' O ' ' CD1' ' A' ' 20' ' ' LEU . 3.6 mm-40 -76.08 -38.94 56.4 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.179 179.915 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.935 HG23 ' O ' ' A' ' 13' ' ' HIS . 0.9 OUTLIER -72.74 -36.89 54.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-O 120.879 0.371 . . . . 0.0 110.933 -179.858 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -75.56 -26.71 58.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.388 179.527 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.6 ttt-85 -72.57 -45.74 57.74 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.704 179.776 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.795 ' CB ' HG22 ' B' ' 24' ' ' ILE . 1.2 mt -66.0 -37.48 86.03 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.903 0.383 . . . . 0.0 110.245 179.713 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.413 ' O ' HG13 ' A' ' 24' ' ' ILE . 7.6 tt0 -62.86 -38.5 91.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.426 179.557 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.5 ttpt -59.92 -48.92 79.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.351 179.545 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.698 ' OE1' HD22 ' B' ' 20' ' ' LEU . 0.2 OUTLIER -54.63 -44.86 73.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.668 179.744 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.804 HG22 ' CB ' ' B' ' 20' ' ' LEU . 0.7 OUTLIER -61.53 -32.49 53.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 179.621 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.421 ' O ' ' CG ' ' A' ' 28' ' ' LYS . 1.2 tt0 -59.33 -44.7 92.59 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.139 179.46 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.1 ttp85 -60.84 -37.92 83.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.137 0.494 . . . . 0.0 109.99 179.234 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.927 ' HB3' HG22 ' B' ' 17' ' ' ILE . 0.1 OUTLIER -70.9 -23.38 62.27 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.594 179.623 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.477 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 0.0 OUTLIER -78.24 -27.75 47.68 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.946 0.403 . . . . 0.0 110.539 179.805 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.405 ' N ' ' HG3' ' A' ' 28' ' ' LYS . 16.7 tt0 -72.69 -43.68 62.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.254 179.479 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 86.7 p -66.37 -47.7 72.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.748 179.683 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.739 HG22 ' O ' ' A' ' 27' ' ' HIS . 5.9 tp -69.8 -24.62 26.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.092 179.884 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.413 ' CB ' ' O ' ' A' ' 28' ' ' LYS . 6.8 ttmt -78.94 -25.62 43.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.757 179.769 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.6 mtmt . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.535 179.711 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 12.1 p . . . . . 0 N--CA 1.454 -0.267 0 CA-C-O 121.061 0.458 . . . . 0.0 109.771 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' B' B ' 12' ' ' HIS . . . . . 0.409 ' CE1' ' CE1' ' B' ' 13' ' ' HIS . 0.1 OUTLIER -79.0 -48.48 14.37 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.806 179.343 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' B' B ' 13' ' ' HIS . . . . . 0.928 ' O ' HG23 ' B' ' 17' ' ' ILE . 14.8 m-70 -66.74 -27.2 67.42 Favored 'General case' 0 CA--C 1.521 -0.169 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.027 179.008 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.72 -49.66 61.46 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.422 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 3.0 mmtp -65.97 -22.42 66.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.249 178.981 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.421 ' O ' ' CD1' ' B' ' 20' ' ' LEU . 3.6 mm-40 -76.05 -39.07 56.34 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.154 179.9 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.928 HG23 ' O ' ' B' ' 13' ' ' HIS . 0.9 OUTLIER -72.57 -37.05 55.62 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 CA-C-O 120.851 0.357 . . . . 0.0 110.925 -179.845 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -75.45 -26.76 58.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.414 179.555 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 10.6 ttt-85 -72.61 -45.7 57.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.688 179.777 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.804 ' CB ' HG22 ' A' ' 24' ' ' ILE . 1.2 mt -65.93 -37.59 86.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.967 0.413 . . . . 0.0 110.26 179.667 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 21' ' ' GLN . . . . . 0.413 ' O ' HG13 ' B' ' 24' ' ' ILE . 7.6 tt0 -62.82 -38.43 90.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.421 179.596 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 2.5 ttpt -60.02 -48.85 80.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.364 179.588 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 23' ' ' GLU . . . . . 0.694 ' OE1' HD22 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -54.66 -44.82 73.62 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.669 179.648 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.795 HG22 ' CB ' ' A' ' 20' ' ' LEU . 0.7 OUTLIER -61.6 -32.45 53.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 179.658 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' B' B ' 25' ' ' GLU . . . . . 0.427 ' O ' ' CG ' ' B' ' 28' ' ' LYS . 1.2 tt0 -59.35 -44.7 92.62 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.163 179.439 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 13.1 ttp85 -60.89 -37.94 83.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.956 179.234 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 27' ' ' HIS . . . . . 0.896 ' HB3' HG22 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -70.82 -23.4 62.35 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.622 179.576 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.472 ' HA ' ' CG2' ' B' ' 31' ' ' ILE . 0.0 OUTLIER -78.24 -27.74 47.68 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.916 0.388 . . . . 0.0 110.543 179.805 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -72.68 -43.75 62.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.233 179.478 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 86.5 p -66.36 -47.58 72.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.783 179.673 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.742 HG22 ' O ' ' B' ' 27' ' ' HIS . 5.9 tp . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.032 179.883 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.917 ' O ' HG23 ' A' ' 17' ' ' ILE . 17.0 m-70 . . . . . 0 C--O 1.226 -0.151 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 . . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.75 -44.77 66.08 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.604 -179.883 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 42.0 tttt -68.34 -28.27 67.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.079 0.466 . . . . 0.0 109.941 179.159 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.554 ' HB3' ' CD2' ' B' ' 27' ' ' HIS . 0.1 OUTLIER -69.21 -45.88 68.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.962 179.717 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.963 HG22 ' HB3' ' B' ' 27' ' ' HIS . 0.6 OUTLIER -65.49 -40.81 89.37 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 CA-C-O 120.983 0.42 . . . . 0.0 110.448 -179.957 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -66.21 -25.77 67.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.593 179.472 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.88 -48.52 58.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.118 -179.881 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.744 HD13 HD13 ' B' ' 20' ' ' LEU . 3.3 mm? -71.14 -25.43 62.57 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.805 0.336 . . . . 0.0 110.735 -179.929 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.466 ' HA ' HG22 ' A' ' 24' ' ' ILE . 6.2 tt0 -77.49 -30.53 53.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.463 179.539 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.45 -42.22 71.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.257 179.493 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.458 ' HB3' HD12 ' B' ' 20' ' ' LEU . 0.4 OUTLIER -64.21 -46.99 81.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.639 179.6 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.874 HD13 ' O ' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -63.71 -27.83 43.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.227 179.527 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -63.75 -47.82 79.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.546 179.563 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -63.64 -40.82 97.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.478 179.656 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.936 ' HB3' HG22 ' B' ' 17' ' ' ILE . 0.2 OUTLIER -71.23 -19.66 62.34 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.62 179.399 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.462 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 13.6 ttmm -77.6 -33.52 53.79 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.42 179.655 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -71.81 -39.41 69.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.453 179.612 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.5 p -70.19 -43.73 70.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.049 179.79 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.801 HG22 ' O ' ' A' ' 27' ' ' HIS . 5.2 tp -72.14 -24.53 22.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.047 179.933 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.32 -34.91 48.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.561 179.629 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.7 ttmt . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.417 179.581 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.243 0 CA-C-O 121.006 0.431 . . . . 0.0 109.945 . . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 12' ' ' HIS . . . . . 0.482 ' CE1' ' CE1' ' B' ' 13' ' ' HIS . 0.1 OUTLIER -78.61 -46.03 20.24 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.898 179.55 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' B' B ' 13' ' ' HIS . . . . . 0.934 ' O ' HG23 ' B' ' 17' ' ' ILE . 17.0 m-70 -70.25 -25.6 63.44 Favored 'General case' 0 C--O 1.225 -0.208 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.26 178.942 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.88 -44.54 66.1 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.616 -179.822 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 41.7 tttt -68.49 -28.2 66.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.024 0.44 . . . . 0.0 109.961 179.161 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.556 ' HB3' ' CD2' ' A' ' 27' ' ' HIS . 0.1 OUTLIER -69.23 -46.05 68.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.949 179.717 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.936 HG22 ' HB3' ' A' ' 27' ' ' HIS . 0.6 OUTLIER -65.34 -40.79 89.59 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.175 0 CA-C-O 121.001 0.429 . . . . 0.0 110.427 -179.978 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -66.32 -25.72 66.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.617 179.476 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.84 -48.42 58.99 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.16 -179.998 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.744 HD13 HD13 ' A' ' 20' ' ' LEU . 3.2 mm? -71.21 -25.42 62.5 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.841 0.353 . . . . 0.0 110.747 -179.92 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 21' ' ' GLN . . . . . 0.471 ' HA ' HG22 ' B' ' 24' ' ' ILE . 6.3 tt0 -77.49 -30.62 53.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.45 179.516 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.42 -42.28 71.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.207 179.485 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 23' ' ' GLU . . . . . 0.452 ' HB3' HD12 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -64.23 -46.99 81.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.592 179.664 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.852 HD13 ' O ' ' B' ' 24' ' ' ILE . 0.0 OUTLIER -63.7 -27.71 43.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.861 0.362 . . . . 0.0 110.309 179.474 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -63.9 -47.73 79.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.472 179.553 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -63.64 -40.83 97.85 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.513 179.642 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 27' ' ' HIS . . . . . 0.963 ' HB3' HG22 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -71.16 -19.82 62.37 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.574 179.378 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.458 ' HA ' ' CG2' ' B' ' 31' ' ' ILE . 13.6 ttmm -77.37 -33.55 55.23 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.498 179.682 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -71.8 -39.43 69.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.474 179.616 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 10.7 p -70.3 -43.46 70.32 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.006 179.843 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.817 HG22 ' O ' ' B' ' 27' ' ' HIS . 5.2 tp . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.05 179.977 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.941 ' O ' HG23 ' A' ' 17' ' ' ILE . 9.3 m-70 . . . . . 0 C--O 1.225 -0.202 0 CA-C-O 120.497 0.189 . . . . 0.0 110.806 . . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.27 -53.14 21.3 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 179.954 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.401 ' O ' ' CG ' ' A' ' 19' ' ' ARG . 2.7 mmtt -65.74 -15.23 62.64 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.296 178.724 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.499 ' HG2' ' CE1' ' B' ' 27' ' ' HIS . 16.7 tp10 -82.87 -37.75 23.88 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.942 179.792 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.941 HG23 ' O ' ' A' ' 13' ' ' HIS . 1.0 OUTLIER -73.28 -37.62 52.22 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 CA-C-O 120.892 0.377 . . . . 0.0 110.706 179.814 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -75.05 -36.05 61.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.569 179.655 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.407 ' O ' ' CG ' ' A' ' 22' ' ' LYS . 1.1 mmm-85 -71.24 -32.98 69.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.716 179.835 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.891 ' HB3' HG22 ' B' ' 24' ' ' ILE . 17.9 mt -70.18 -39.02 75.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.211 179.579 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.403 ' O ' HG13 ' A' ' 24' ' ' ILE . 1.0 OUTLIER -62.29 -45.23 94.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.939 179.846 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.407 ' CG ' ' O ' ' A' ' 19' ' ' ARG . 1.8 ptmt -63.82 -34.2 77.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.848 0.356 . . . . 0.0 110.737 179.945 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -67.27 -37.9 84.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.111 179.896 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.876 HG22 ' HB3' ' B' ' 20' ' ' LEU . 0.5 OUTLIER -64.62 -40.5 89.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.11 0.481 . . . . 0.0 110.212 179.848 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.413 ' N ' HG13 ' A' ' 24' ' ' ILE . 7.9 tt0 -61.12 -41.5 96.82 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.52 179.627 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.4 ttt85 -57.49 -44.14 84.72 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.978 179.374 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.925 ' HB3' HG22 ' B' ' 17' ' ' ILE . 0.2 OUTLIER -69.13 -24.73 64.13 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.922 178.985 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.473 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 17.2 ttmt -73.09 -26.89 61.42 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.822 179.826 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -77.04 -42.5 38.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.456 179.694 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.06 -40.64 87.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.01 179.886 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.76 HG22 ' O ' ' A' ' 27' ' ' HIS . 3.9 tp -71.34 -35.67 58.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 -179.924 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.5 ttpp -74.71 -20.63 59.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.975 179.751 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.7 tttp . . . . . 0 C--N 1.332 -0.156 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.504 -179.591 . . . . . . . . 0 0 . 1 . 031 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 2.8 t . . . . . 0 C--O 1.235 0.308 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -72.18 -33.51 67.73 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.875 179.235 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 13' ' ' HIS . . . . . 0.94 ' O ' HG23 ' B' ' 17' ' ' ILE . 9.3 m-70 -66.65 -31.94 72.95 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.847 179.653 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.35 -53.09 21.28 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 179.962 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt -65.66 -15.42 62.76 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.319 178.686 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.5 ' HG2' ' CE1' ' A' ' 27' ' ' HIS . 16.7 tp10 -82.61 -37.89 24.36 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.957 179.776 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.94 HG23 ' O ' ' B' ' 13' ' ' HIS . 1.0 OUTLIER -73.36 -37.4 51.24 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 CA-C-O 120.931 0.396 . . . . 0.0 110.789 179.883 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -75.22 -35.56 61.46 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.604 179.603 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 19' ' ' ARG . . . . . 0.412 ' O ' ' CG ' ' B' ' 22' ' ' LYS . 1.1 mmm-85 -71.6 -33.15 68.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.686 179.844 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.876 ' HB3' HG22 ' A' ' 24' ' ' ILE . 17.1 mt -70.38 -38.57 74.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.123 179.496 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 21' ' ' GLN . . . . . 0.406 ' O ' HG13 ' B' ' 24' ' ' ILE . 0.2 OUTLIER -61.43 -46.29 90.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.78 179.669 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' B' B ' 22' ' ' LYS . . . . . 0.412 ' CG ' ' O ' ' B' ' 19' ' ' ARG . 1.8 ptmt -63.93 -34.18 77.4 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 180.0 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -67.15 -37.63 84.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.079 179.991 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.891 HG22 ' HB3' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -65.0 -40.56 89.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.959 0.409 . . . . 0.0 110.074 179.899 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' B' B ' 25' ' ' GLU . . . . . 0.414 ' N ' HG13 ' B' ' 24' ' ' ILE . 7.9 tt0 -60.97 -41.55 96.61 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.541 179.661 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 1.4 ttt85 -57.58 -44.19 85.13 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.046 179.395 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 27' ' ' HIS . . . . . 0.88 ' HB3' HG22 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -69.07 -24.68 64.19 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.86 178.976 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.491 ' HA ' ' CG2' ' B' ' 31' ' ' ILE . 17.3 ttmt -73.13 -26.9 61.4 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.828 179.867 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -77.0 -42.55 38.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.461 179.689 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.05 -40.5 87.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.046 179.877 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.775 HG22 ' O ' ' B' ' 27' ' ' HIS . 3.8 tp . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.956 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.587 ' O ' HG22 ' A' ' 17' ' ' ILE . 10.2 m-70 . . . . . 0 N--CA 1.462 0.158 0 CA-C-O 120.66 0.266 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.54 -40.18 30.15 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-O 120.909 0.385 . . . . 0.0 110.662 -179.777 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.71 -25.08 49.1 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.423 179.249 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.29 -38.03 31.58 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.835 179.699 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.846 ' O ' HD13 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -76.03 -34.74 27.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.718 179.719 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -78.46 -27.79 46.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.882 0.372 . . . . 0.0 110.826 179.79 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.2 ttt85 -80.31 -34.64 36.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.35 -179.77 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.555 ' O ' HG22 ' A' ' 24' ' ' ILE . 89.5 mt -79.73 -26.41 40.79 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 179.995 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.433 ' HB2' HG13 ' B' ' 24' ' ' ILE . 0.6 OUTLIER -75.0 -39.01 61.44 Favored 'General case' 0 C--N 1.333 -0.136 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 178.575 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.9 ttpt -61.94 -46.9 87.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.163 179.257 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.95 -51.57 69.48 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.506 179.57 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.705 HD13 ' O ' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -64.84 -19.0 24.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.927 179.516 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -71.17 -39.41 71.91 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.079 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.3 mtp180 -66.08 -49.2 68.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.221 179.259 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.835 ' O ' HG22 ' A' ' 31' ' ' ILE . 3.2 m-70 -66.43 -23.89 66.37 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.319 179.256 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.464 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 0.7 OUTLIER -78.22 -24.82 46.86 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.045 179.975 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -78.4 -38.18 42.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.481 179.725 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.22 -42.91 62.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.71 179.721 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.835 HG22 ' O ' ' A' ' 27' ' ' HIS . 4.3 tp -73.23 -30.9 32.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.942 179.938 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.423 ' CB ' ' O ' ' A' ' 28' ' ' LYS . 3.5 ttpm? -79.56 -23.43 42.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.5 179.274 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.1 ttmt . . . . . 0 C--N 1.331 -0.228 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.001 179.92 . . . . . . . . 0 0 . 1 . 032 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.233 0.232 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 . . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -66.21 -33.87 76.73 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 115.762 -0.653 . . . . 0.0 109.686 179.103 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 13' ' ' HIS . . . . . 0.586 ' O ' HG22 ' B' ' 17' ' ' ILE . 10.1 m-70 -73.55 -18.13 61.11 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.088 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.54 -39.93 30.73 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-O 120.922 0.391 . . . . 0.0 110.612 -179.756 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.78 -25.05 48.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.389 179.305 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.32 -37.92 31.65 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.809 179.716 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.846 HD13 ' O ' ' B' ' 17' ' ' ILE . 0.0 OUTLIER -76.23 -34.74 26.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.88 0.371 . . . . 0.0 110.69 179.831 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -78.5 -27.82 46.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.898 0.38 . . . . 0.0 110.888 179.785 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 15.2 ttt85 -80.24 -34.66 36.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.36 -179.828 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.543 ' O ' HG22 ' B' ' 24' ' ' ILE . 90.9 mt -79.49 -27.07 41.5 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 110.097 -0.335 . . . . 0.0 110.097 -179.974 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 21' ' ' GLN . . . . . 0.446 ' HB2' HG13 ' A' ' 24' ' ' ILE . 0.6 OUTLIER -74.53 -39.0 62.63 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 178.662 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 19.9 ttpt -61.9 -46.74 88.05 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.107 179.363 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.26 -51.53 69.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.533 179.576 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.688 HD13 ' O ' ' B' ' 24' ' ' ILE . 0.0 OUTLIER -64.93 -18.87 24.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.935 179.581 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -71.1 -39.58 72.01 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 178.997 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 19.4 mtp180 -66.06 -48.8 69.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.327 179.278 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 27' ' ' HIS . . . . . 0.827 ' O ' HG22 ' B' ' 31' ' ' ILE . 3.0 m-70 -66.68 -24.0 66.21 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.215 179.24 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.472 ' HA ' ' CG2' ' B' ' 31' ' ' ILE . 0.7 OUTLIER -78.04 -24.86 47.63 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.099 179.933 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -78.55 -37.93 41.65 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.53 179.722 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.34 -42.71 61.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.794 179.622 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.827 HG22 ' O ' ' B' ' 27' ' ' HIS . 4.3 tp . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.839 -179.993 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.915 ' O ' HG23 ' A' ' 17' ' ' ILE . 8.9 m-70 . . . . . 0 C--O 1.224 -0.241 0 CA-C-O 120.519 0.2 . . . . 0.0 110.573 . . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.4 -53.36 19.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.837 0.351 . . . . 0.0 110.265 -179.774 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.57 -21.65 66.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.104 178.813 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.687 ' O ' HD23 ' A' ' 20' ' ' LEU . 2.5 mm-40 -74.86 -42.44 57.9 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.082 179.759 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.972 HG22 ' HB3' ' B' ' 27' ' ' HIS . 0.7 OUTLIER -67.84 -40.83 84.3 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 CA-C-O 120.91 0.386 . . . . 0.0 110.528 -179.994 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -70.62 -26.79 63.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.777 179.582 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.8 mtp85 -75.91 -34.92 59.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.017 -179.96 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.687 HD23 ' O ' ' A' ' 16' ' ' GLU . 3.5 mm? -70.86 -36.38 72.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.865 0.364 . . . . 0.0 110.374 179.722 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.654 ' HB2' HD12 ' B' ' 24' ' ' ILE . 0.0 OUTLIER -67.17 -45.86 75.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.506 179.466 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -32.42 72.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.428 179.619 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -65.64 -48.99 70.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.704 179.879 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.672 HD12 ' HB2' ' B' ' 21' ' ' GLN . 5.7 tt -64.05 -23.01 32.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.715 0.293 . . . . 0.0 110.545 179.425 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -68.03 -48.86 64.5 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.38 179.584 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.0 -36.8 84.27 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.572 179.646 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.961 ' HB3' HG22 ' B' ' 17' ' ' ILE . 0.1 OUTLIER -73.58 -22.33 60.08 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.337 179.417 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.464 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 0.2 OUTLIER -76.11 -32.45 59.19 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.584 179.765 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.64 -41.43 65.5 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.425 179.595 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.57 -41.99 78.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.246 179.917 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.816 HG22 ' O ' ' A' ' 27' ' ' HIS . 4.2 tp -73.04 -27.55 24.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.089 -179.761 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.433 ' HE3' ' CE ' ' A' ' 28' ' ' LYS . 10.8 mttt -80.19 -22.73 41.58 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.783 179.624 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.7 mmtt . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.444 -179.779 . . . . . . . . 0 0 . 1 . 033 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.236 0.379 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 . . . . . . . . . 0 0 . 1 . 033 nuclear build core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -72.59 -33.26 66.6 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.09 179.444 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 13' ' ' HIS . . . . . 0.923 ' O ' HG23 ' B' ' 17' ' ' ILE . 9.0 m-70 -68.12 -30.14 69.22 Favored 'General case' 0 C--O 1.225 -0.212 0 C-N-CA 120.978 -0.289 . . . . 0.0 110.616 179.429 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 14' ' ' ALA . . . . . 0.406 ' O ' HG13 ' B' ' 17' ' ' ILE . . . -69.98 -53.27 18.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.788 0.328 . . . . 0.0 110.231 -179.866 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.42 -22.1 66.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.162 178.823 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.667 ' O ' HD23 ' B' ' 20' ' ' LEU . 2.4 mm-40 -74.33 -43.06 58.27 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.064 179.793 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.961 HG22 ' HB3' ' A' ' 27' ' ' HIS . 0.7 OUTLIER -67.35 -40.93 85.76 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 CA-C-O 120.817 0.342 . . . . 0.0 110.57 -179.994 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -70.33 -26.64 63.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.785 179.598 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 12.2 mtp85 -76.11 -34.77 59.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.076 -179.986 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.667 HD23 ' O ' ' B' ' 16' ' ' GLU . 3.5 mm? -71.02 -36.07 72.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.883 0.373 . . . . 0.0 110.38 179.776 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 21' ' ' GLN . . . . . 0.672 ' HB2' HD12 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -67.4 -45.73 75.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.474 179.524 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.07 -32.23 72.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.375 179.594 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -65.49 -49.27 69.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.739 179.802 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.654 HD12 ' HB2' ' A' ' 21' ' ' GLN . 5.6 tt -64.09 -23.28 32.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.699 0.285 . . . . 0.0 110.431 179.539 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -67.48 -48.62 66.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.94 0.4 . . . . 0.0 110.408 179.466 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.34 -36.43 82.9 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.551 179.593 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 27' ' ' HIS . . . . . 0.972 ' HB3' HG22 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -74.31 -20.99 59.92 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.317 179.438 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.477 ' HA ' ' CG2' ' B' ' 31' ' ' ILE . 0.2 OUTLIER -77.54 -32.69 54.1 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.491 179.706 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.44 -42.41 65.07 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.3 179.577 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.35 -43.9 80.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.001 179.816 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.799 HG22 ' O ' ' B' ' 27' ' ' HIS . 4.8 tp . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.382 -179.776 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.915 ' O ' HG23 ' A' ' 17' ' ' ILE . 12.8 m-70 . . . . . 0 CA--C 1.519 -0.231 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 . . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.44 -50.34 63.69 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.717 -179.811 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.03 -27.57 68.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.998 0.428 . . . . 0.0 110.297 179.469 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.507 ' O ' HD23 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -70.3 -41.55 73.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.292 -179.886 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.952 HG22 ' HB3' ' B' ' 27' ' ' HIS . 1.0 OUTLIER -67.55 -36.66 76.93 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-O 121.05 0.452 . . . . 0.0 110.671 -179.769 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.413 ' N ' HG13 ' A' ' 17' ' ' ILE . 6.5 mm-40 -69.86 -28.94 66.07 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.563 179.529 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.46 -42.85 67.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.581 -179.688 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.766 ' O ' HG22 ' A' ' 24' ' ' ILE . 3.4 mm? -73.43 -28.5 62.01 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 120.736 0.303 . . . . 0.0 110.55 -179.755 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.441 ' HA ' ' CG2' ' A' ' 24' ' ' ILE . 1.0 OUTLIER -75.16 -27.82 59.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.473 179.338 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.62 -32.16 53.27 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.015 179.446 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.427 ' CB ' ' HG ' ' B' ' 20' ' ' LEU . 3.3 mm-40 -71.69 -46.41 58.88 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.592 179.472 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.914 ' O ' HD12 ' A' ' 24' ' ' ILE . 0.1 OUTLIER -62.9 -36.69 76.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.941 0.401 . . . . 0.0 110.023 179.325 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -62.51 -47.56 83.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.32 179.676 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -64.82 -36.67 85.08 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 120.881 0.372 . . . . 0.0 111.472 -179.521 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.936 ' HB3' HG22 ' B' ' 17' ' ' ILE . 0.1 OUTLIER -74.43 -22.57 59.07 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.713 -179.985 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.45 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 7.1 ttmt -76.6 -32.53 58.16 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.434 179.62 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -72.63 -40.41 66.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.58 179.597 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 92.6 p -70.51 -40.83 73.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.276 -179.969 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.759 HG22 ' O ' ' A' ' 27' ' ' HIS . 5.7 tp -74.82 -25.24 18.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.914 -179.966 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.1 ttpt -79.41 -31.76 42.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.654 179.716 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.7 mttt . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.643 179.756 . . . . . . . . 0 0 . 1 . 034 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 8.5 p . . . . . 0 N--CA 1.455 -0.217 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 . . . . . . . . . 0 0 . 1 . 034 nuclear build core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -76.55 -49.89 15.29 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.638 179.213 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 13' ' ' HIS . . . . . 0.956 ' O ' HG23 ' B' ' 17' ' ' ILE . 12.2 m-70 -64.36 -27.57 69.1 Favored 'General case' 0 C--O 1.223 -0.32 0 C-N-CA 120.631 -0.428 . . . . 0.0 109.966 178.927 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 14' ' ' ALA . . . . . 0.405 ' O ' HG13 ' B' ' 17' ' ' ILE . . . -65.57 -50.77 63.91 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.952 -179.803 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.98 -27.95 69.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.04 0.448 . . . . 0.0 110.372 179.612 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.54 ' O ' HD23 ' B' ' 20' ' ' LEU . 0.2 OUTLIER -70.38 -40.73 73.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.414 -179.914 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.956 HG23 ' O ' ' B' ' 13' ' ' HIS . 1.0 OUTLIER -68.24 -35.67 72.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.849 0.357 . . . . 0.0 110.883 -179.472 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.426 ' N ' HG13 ' B' ' 17' ' ' ILE . 6.3 mm-40 -71.16 -29.2 64.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.607 179.675 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.52 -42.45 71.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.377 -179.852 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.54 HD23 ' O ' ' B' ' 16' ' ' GLU . 3.2 mm? -71.34 -31.45 67.39 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.818 0.342 . . . . 0.0 110.851 -179.731 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 21' ' ' GLN . . . . . 0.444 ' CG ' HG12 ' A' ' 24' ' ' ILE . 1.1 tt0 -73.58 -32.39 64.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.584 179.832 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.73 -31.72 63.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.459 179.664 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -71.52 -46.05 60.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.043 -179.982 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.898 HD13 ' O ' ' B' ' 24' ' ' ILE . 0.0 OUTLIER -67.73 -30.44 48.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.487 179.818 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -65.02 -43.78 91.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.395 179.513 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -68.17 -36.13 79.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.764 179.781 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 27' ' ' HIS . . . . . 0.952 ' HB3' HG22 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -74.95 -20.57 59.62 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.695 179.693 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.461 ' HA ' ' CG2' ' B' ' 31' ' ' ILE . 6.6 ttmt -78.74 -33.87 46.24 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.906 0.384 . . . . 0.0 110.425 179.625 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -71.5 -40.44 70.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.473 179.49 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 88.2 p -69.71 -43.73 71.78 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.989 179.798 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.767 HG22 ' O ' ' B' ' 27' ' ' HIS . 6.1 tp . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.192 179.988 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.732 ' HB2' HD13 ' B' ' 31' ' ' ILE . 10.0 m-70 . . . . . 0 CA--C 1.519 -0.227 0 CA-C-O 120.647 0.261 . . . . 0.0 110.442 . . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.27 -54.4 29.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.105 -179.999 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.16 -21.4 59.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.319 178.959 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.479 ' HB3' ' CE1' ' B' ' 27' ' ' HIS . 0.1 OUTLIER -76.88 -42.82 38.33 Favored 'General case' 0 CA--C 1.527 0.091 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.333 -179.933 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.933 HG22 ' HB3' ' B' ' 27' ' ' HIS . 1.1 pp -71.07 -27.78 30.9 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 CA-C-O 120.905 0.383 . . . . 0.0 110.888 -179.83 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.59 -38.98 58.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.363 179.591 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 43.2 ttt-85 -65.57 -45.46 83.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.409 179.532 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.749 HD12 HG22 ' B' ' 24' ' ' ILE . 0.0 OUTLIER -61.46 -43.62 98.54 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.901 179.295 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.831 ' HG3' HD13 ' B' ' 24' ' ' ILE . 65.5 mt-30 -60.57 -31.58 70.71 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.583 179.589 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.09 -45.36 89.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.429 179.738 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -47.59 85.3 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.859 179.739 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.816 HD13 ' HG3' ' B' ' 21' ' ' GLN . 0.5 OUTLIER -58.36 -36.18 57.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 179.762 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -61.49 -40.35 94.27 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.317 179.612 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -56.44 -47.15 79.72 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.762 179.277 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.961 ' HB3' HG22 ' B' ' 17' ' ' ILE . 0.2 OUTLIER -66.33 -26.15 67.16 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.629 178.727 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.509 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 6.0 ttmt -72.04 -26.72 62.3 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.894 179.877 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -75.1 -44.27 48.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.433 179.857 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.06 -42.0 90.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.158 179.889 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.798 HG22 ' O ' ' A' ' 27' ' ' HIS . 3.8 tp -71.75 -32.15 44.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.94 -179.87 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.0 mmtp -76.6 -20.47 56.74 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.075 179.892 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.458 -179.632 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.451 -0.39 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 . . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -73.27 -41.26 63.86 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.67 178.833 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 13' ' ' HIS . . . . . 0.739 ' O ' HG23 ' B' ' 17' ' ' ILE . 10.0 m-70 -62.21 -32.29 72.93 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.399 179.274 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.27 -54.63 26.37 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.205 179.987 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.9 -21.68 58.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.38 178.938 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.483 ' HB3' ' CE1' ' A' ' 27' ' ' HIS . 0.1 OUTLIER -76.71 -42.81 40.02 Favored 'General case' 0 CA--C 1.527 0.081 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.324 -179.891 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.961 HG22 ' HB3' ' A' ' 27' ' ' HIS . 1.1 pp -70.86 -27.9 31.92 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.169 0 CA-C-O 120.937 0.399 . . . . 0.0 110.882 -179.747 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.36 -39.21 59.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.388 179.672 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 42.0 ttt-85 -66.08 -44.01 85.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.493 179.638 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.731 HD12 HG22 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -64.06 -36.99 85.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.121 179.559 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' B' B ' 21' ' ' GLN . . . . . 0.816 ' HG3' HD13 ' A' ' 24' ' ' ILE . 62.5 mt-30 -67.38 -29.53 69.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.384 179.278 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.74 -46.24 79.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.416 179.63 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.63 -46.91 87.57 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.745 179.71 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.831 HD13 ' HG3' ' A' ' 21' ' ' GLN . 0.5 OUTLIER -58.5 -37.5 64.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 179.595 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -60.8 -40.17 91.67 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.358 179.609 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -56.47 -47.32 79.45 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 121.175 0.512 . . . . 0.0 109.759 179.324 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 27' ' ' HIS . . . . . 0.933 ' HB3' HG22 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -66.26 -26.02 67.15 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.62 178.783 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.503 ' HA ' ' CG2' ' B' ' 31' ' ' ILE . 6.1 ttmt -72.31 -26.62 62.02 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.887 179.844 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -75.06 -44.3 48.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.498 179.761 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.89 -42.25 90.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.087 179.863 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.787 HG22 ' O ' ' B' ' 27' ' ' HIS . 3.8 tp . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.037 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.827 0.346 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -116.27 -52.79 2.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -123.61 25.56 8.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.31 -25.6 25.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 3.6 p80 -62.96 -28.4 70.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.979 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.51 -38.14 83.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -64.62 -25.8 68.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.621 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -72.37 -55.76 6.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.532 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.475 ' O ' ' CD2' ' A' ' 13' ' ' HIS . 1.0 OUTLIER -62.55 -23.83 67.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.571 179.467 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.515 HD11 ' O ' ' B' ' 34' ' ' LEU . 0.0 OUTLIER -73.25 -45.37 53.36 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.403 179.891 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.7 p -63.68 -31.53 72.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -71.83 -44.01 64.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.327 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.578 ' HB2' HD13 ' B' ' 31' ' ' ILE . 8.3 m-70 -62.95 -27.23 69.25 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.786 0.327 . . . . 0.0 110.207 179.364 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.49 -54.94 13.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.491 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.416 ' O ' ' CB ' ' A' ' 19' ' ' ARG . 7.1 mttm -67.04 -14.01 62.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.73 179.273 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.605 ' O ' HD12 ' A' ' 20' ' ' LEU . 1.3 mm-40 -84.49 -36.83 21.98 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.212 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.655 ' O ' HD13 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -78.18 -31.7 16.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.945 0.402 . . . . 0.0 110.463 179.654 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -80.62 -39.29 27.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.358 179.268 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.416 ' CB ' ' O ' ' A' ' 15' ' ' LYS . 15.2 ttp180 -74.33 -28.17 61.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.308 179.572 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.801 ' O ' HG23 ' A' ' 24' ' ' ILE . 13.6 mt -73.81 -40.73 63.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.099 179.515 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.406 ' O ' HG13 ' A' ' 24' ' ' ILE . 1.6 tt0 -62.74 -42.69 99.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.598 179.609 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.4 ttpt -64.43 -38.02 89.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.698 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -64.55 -38.56 91.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.209 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.801 HG23 ' O ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -64.41 -40.46 89.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.928 0.394 . . . . 0.0 110.264 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.408 ' N ' HG13 ' A' ' 24' ' ' ILE . 1.0 OUTLIER -58.8 -44.55 90.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.463 179.743 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.48 -49.29 72.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.268 179.552 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.642 ' O ' HG22 ' A' ' 31' ' ' ILE . 4.7 m-70 -64.53 -24.73 67.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.576 179.503 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.455 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 4.1 ttpt -77.13 -26.0 52.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.785 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -78.74 -35.3 44.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.746 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 13.1 p -74.52 -36.05 63.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.862 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.642 HG22 ' O ' ' A' ' 27' ' ' HIS . 4.7 tp -77.31 -28.99 16.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.69 -31.62 41.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.76 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.72 -34.1 40.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.689 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.506 ' O ' HD11 ' B' ' 10' ' ' ILE . 0.3 OUTLIER -78.12 -28.69 48.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.686 179.879 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.3 ttmt -79.46 -33.96 41.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.756 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -77.04 -31.18 56.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.785 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -75.7 -26.04 57.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.786 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -74.06 -26.35 60.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.772 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -70.74 -26.58 63.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -102.4 161.33 13.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.4 p30 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.255 -0.878 . . . . 0.0 110.911 179.985 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.818 0.342 . . . . 0.0 111.059 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -116.28 -52.78 2.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.931 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -123.63 25.38 8.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.1 -25.73 25.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 3.6 p80 -62.83 -28.34 69.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.49 -38.21 83.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.937 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -64.67 -25.61 68.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.663 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -72.56 -55.7 6.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.515 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.472 ' O ' ' CD2' ' B' ' 13' ' ' HIS . 1.0 OUTLIER -62.61 -23.91 67.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.508 179.471 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.506 HD11 ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -73.48 -45.07 52.89 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.367 179.902 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 9.7 p -63.67 -31.65 72.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.806 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -71.77 -44.11 64.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.37 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 13' ' ' HIS . . . . . 0.592 ' HB2' HD13 ' A' ' 31' ' ' ILE . 8.3 m-70 -62.84 -27.27 69.21 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.839 0.352 . . . . 0.0 110.275 179.388 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.47 -54.91 13.85 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.478 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' LYS . . . . . 0.419 ' O ' ' CB ' ' B' ' 19' ' ' ARG . 7.2 mttm -67.09 -13.91 62.39 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.747 179.214 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.612 ' O ' HD12 ' B' ' 20' ' ' LEU . 1.3 mm-40 -84.68 -36.52 21.84 Favored 'General case' 0 N--CA 1.457 -0.076 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.244 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.658 HD13 ' O ' ' B' ' 17' ' ' ILE . 0.0 OUTLIER -78.47 -31.59 15.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.882 0.373 . . . . 0.0 110.428 179.615 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -80.92 -39.19 26.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.389 179.296 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' ARG . . . . . 0.419 ' CB ' ' O ' ' B' ' 15' ' ' LYS . 15.1 ttp180 -74.22 -28.72 61.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.343 179.478 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.799 ' HB3' HG22 ' A' ' 24' ' ' ILE . 13.4 mt -73.0 -41.54 64.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.1 179.374 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 21' ' ' GLN . . . . . 0.408 ' O ' HG13 ' B' ' 24' ' ' ILE . 1.6 tt0 -61.86 -42.88 99.59 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.667 179.752 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 7.4 ttpt -64.34 -37.69 88.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.736 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -64.96 -38.1 89.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.179 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.786 HG22 ' HB3' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -64.78 -40.37 88.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.043 0.449 . . . . 0.0 110.249 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 25' ' ' GLU . . . . . 0.417 ' N ' HG13 ' B' ' 24' ' ' ILE . 1.0 OUTLIER -59.02 -44.41 91.71 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.48 179.701 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.52 -49.28 73.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.274 179.555 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 27' ' ' HIS . . . . . 0.645 ' CD2' HD11 ' A' ' 20' ' ' LEU . 4.7 m-70 -64.56 -24.73 67.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.584 179.49 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.452 ' HA ' ' CG2' ' B' ' 31' ' ' ILE . 4.0 ttpt -77.07 -26.0 52.97 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.832 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -78.76 -35.24 44.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.778 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 13.0 p -74.52 -36.02 63.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.639 HG22 ' O ' ' B' ' 27' ' ' HIS . 4.6 tp -77.22 -29.06 16.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.6 -31.58 41.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.803 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.75 -34.16 40.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.719 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.515 ' O ' HD11 ' A' ' 10' ' ' ILE . 0.3 OUTLIER -78.09 -28.62 48.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.732 179.812 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 4.3 ttmt -79.61 -33.81 41.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.797 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -77.13 -31.12 55.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.827 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -75.78 -25.98 56.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.784 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -74.16 -26.2 60.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.812 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -70.87 -26.45 63.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -102.5 161.26 13.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 9.4 p30 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.234 -0.888 . . . . 0.0 110.938 179.977 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.86 0.362 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -136.1 -65.26 0.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.942 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.49 57.68 5.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.875 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.07 -33.39 65.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.869 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -59.21 -29.47 67.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.7 -37.35 81.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.92 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -64.66 -26.01 68.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.688 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -72.76 -56.25 5.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.415 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.497 ' HG3' ' CE1' ' A' ' 13' ' ' HIS . 0.4 OUTLIER -61.01 -24.16 65.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.435 179.308 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.529 HD11 ' HB3' ' B' ' 34' ' ' LEU . 0.0 OUTLIER -71.83 -48.85 48.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.414 179.84 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 t -63.93 -26.44 68.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.706 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.43 ' CE1' ' CE1' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -71.49 -44.16 65.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.247 179.847 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.865 ' O ' HG23 ' A' ' 17' ' ' ILE . 17.3 m-70 -63.97 -30.15 71.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.876 0.369 . . . . 0.0 110.133 179.425 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.45 ' N ' HG13 ' B' ' 31' ' ' ILE . . . -64.66 -51.83 60.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.474 179.712 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.0 mttm -64.66 -21.25 66.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.503 179.23 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -77.35 -35.95 54.19 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.147 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.865 HG23 ' O ' ' A' ' 13' ' ' HIS . 1.0 OUTLIER -72.59 -35.39 50.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.826 0.346 . . . . 0.0 110.941 -179.929 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.426 ' N ' HG13 ' A' ' 17' ' ' ILE . 58.6 mt-10 -75.27 -38.94 60.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.552 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.71 -34.26 75.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.552 179.732 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.809 HD13 ' HA ' ' B' ' 24' ' ' ILE . 0.5 OUTLIER -66.61 -44.86 80.93 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.035 179.475 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.407 ' O ' HG13 ' A' ' 24' ' ' ILE . 10.9 tt0 -56.58 -44.79 81.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.815 179.792 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -61.57 -35.61 78.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.725 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.455 ' HG2' HD11 ' B' ' 20' ' ' LEU . 1.3 tt0 -65.93 -39.26 90.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.155 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.807 ' HA ' HD13 ' B' ' 20' ' ' LEU . 0.5 OUTLIER -62.9 -40.91 90.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.989 0.423 . . . . 0.0 110.147 179.885 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.409 ' N ' HG13 ' A' ' 24' ' ' ILE . 0.2 OUTLIER -60.37 -41.56 93.97 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.387 179.561 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.1 mmt180 -56.03 -44.97 79.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.014 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.811 ' HB3' HG22 ' B' ' 17' ' ' ILE . 0.2 OUTLIER -65.69 -28.16 68.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.087 179.37 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.522 ' HA ' HG22 ' A' ' 31' ' ' ILE . 1.9 ttpt -74.78 -23.45 58.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.852 179.642 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.418 ' HA ' ' CG ' ' A' ' 32' ' ' LYS . 36.7 tt0 -80.81 -34.41 34.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.757 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.86 -36.4 56.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.576 179.698 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.596 HG21 HG21 ' B' ' 17' ' ' ILE . 0.0 OUTLIER -77.8 -33.85 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.862 179.681 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.418 ' CG ' ' HA ' ' A' ' 29' ' ' GLN . 0.0 OUTLIER -77.19 -29.77 54.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.456 179.543 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.08 -37.01 64.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.348 179.51 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.52 ' HB3' HD11 ' B' ' 10' ' ' ILE . 1.1 mt -67.18 -43.14 82.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.404 179.568 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.429 ' HE2' HG21 ' B' ' 10' ' ' ILE . 11.1 mmtp -61.21 -42.38 98.49 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.537 179.616 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -65.22 -34.3 78.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.042 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.56 -27.23 65.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.46 ' OE2' HD13 ' B' ' 10' ' ' ILE . 2.8 mt-10 -69.62 -31.05 68.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.6 -25.61 64.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.915 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -83.39 -170.72 3.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.924 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.829 0.347 . . . . 0.0 111.062 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -136.16 -65.19 0.58 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.96 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.38 57.72 5.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.948 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.05 -33.34 65.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.91 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -59.28 -29.45 67.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.78 -37.19 81.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.825 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -64.79 -26.04 68.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.599 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -72.81 -56.24 5.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.413 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.496 ' HG3' ' CE1' ' B' ' 13' ' ' HIS . 0.4 OUTLIER -60.89 -24.21 65.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.396 179.24 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.52 HD11 ' HB3' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -71.57 -49.34 47.22 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.328 179.869 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 1.4 t -63.74 -26.43 68.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.762 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.434 ' CE1' ' CE1' ' B' ' 13' ' ' HIS . 0.0 OUTLIER -71.56 -44.19 64.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.243 179.859 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 13' ' ' HIS . . . . . 0.845 ' O ' HG23 ' B' ' 17' ' ' ILE . 17.1 m-70 -64.03 -30.06 71.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.833 0.349 . . . . 0.0 110.1 179.478 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.448 ' N ' HG13 ' A' ' 31' ' ' ILE . . . -65.01 -51.8 59.65 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.441 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 4.9 mttm -64.33 -21.65 66.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.449 179.25 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -76.71 -37.06 56.73 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.142 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.845 HG23 ' O ' ' B' ' 13' ' ' HIS . 1.0 OUTLIER -71.5 -35.56 57.11 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 CA-C-O 120.901 0.381 . . . . 0.0 111.045 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.422 ' N ' HG13 ' B' ' 17' ' ' ILE . 63.2 mt-10 -74.34 -39.24 62.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.69 179.633 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.23 -32.32 71.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.614 179.772 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.807 HD13 ' HA ' ' A' ' 24' ' ' ILE . 0.5 OUTLIER -69.79 -39.5 76.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.344 179.596 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 21' ' ' GLN . . . . . 0.41 ' O ' HG13 ' B' ' 24' ' ' ILE . 10.2 tt0 -61.85 -43.53 98.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.541 179.413 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -63.11 -36.19 82.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.683 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' GLU . . . . . 0.41 ' HG2' HD11 ' A' ' 20' ' ' LEU . 1.5 tt0 -65.36 -39.36 92.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.15 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.809 ' HA ' HD13 ' A' ' 20' ' ' LEU . 0.5 OUTLIER -62.65 -41.24 91.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.027 0.441 . . . . 0.0 110.015 179.91 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 25' ' ' GLU . . . . . 0.409 ' N ' HG13 ' B' ' 24' ' ' ILE . 0.2 OUTLIER -60.33 -41.33 93.31 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.351 179.589 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -56.05 -45.18 79.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.08 179.467 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 27' ' ' HIS . . . . . 0.827 ' HB3' HG22 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -65.31 -28.0 69.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.157 179.274 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.515 ' HA ' HG22 ' B' ' 31' ' ' ILE . 2.0 ttpt -74.86 -23.86 58.48 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.79 179.768 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 29' ' ' GLN . . . . . 0.43 ' HA ' ' CG ' ' B' ' 32' ' ' LYS . 36.7 tt0 -80.51 -34.14 35.87 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.751 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 3.8 m -76.99 -36.46 56.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.61 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.61 HG21 HG21 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -78.07 -33.18 17.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.818 179.725 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 32' ' ' LYS . . . . . 0.43 ' CG ' ' HA ' ' B' ' 29' ' ' GLN . 0.0 OUTLIER -77.65 -29.95 51.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.357 179.54 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -73.57 -37.83 65.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.406 179.544 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.529 ' HB3' HD11 ' A' ' 10' ' ' ILE . 1.1 mt -67.96 -42.23 81.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.429 179.646 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 35' ' ' LYS . . . . . 0.442 ' HE2' HG21 ' A' ' 10' ' ' ILE . 0.5 OUTLIER -63.31 -37.65 88.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.673 179.839 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -70.39 -32.84 70.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.844 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.47 -27.22 65.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.802 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 38' ' ' GLU . . . . . 0.423 ' OE2' HD13 ' A' ' 10' ' ' ILE . 2.8 mt-10 -68.49 -30.74 69.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.842 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.73 -25.63 63.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -83.19 -170.87 3.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.894 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 120.818 0.342 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.6 mt -55.6 142.15 34.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.862 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.624 ' HE2' ' CE1' ' A' ' 5' ' ' HIS . 0.0 OUTLIER -95.92 27.24 3.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 179.93 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.403 ' HE3' ' HA ' ' A' ' 5' ' ' HIS . 0.0 OUTLIER -66.14 -31.67 72.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.624 ' CE1' ' HE2' ' A' ' 3' ' ' LYS . 7.8 p80 -59.63 -32.14 70.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.84 -56.76 11.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.07 -25.2 4.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.745 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -70.84 -59.12 2.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.327 179.678 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.469 ' O ' ' CD2' ' A' ' 13' ' ' HIS . 3.3 mm-40 -56.87 -21.2 27.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.336 179.206 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.449 HD12 HD22 ' B' ' 34' ' ' LEU . 0.0 OUTLIER -71.23 -51.83 31.45 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.63 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.2 t -63.35 -27.11 69.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.026 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.435 ' CE1' ' CE1' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -74.97 -43.28 54.88 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.462 -179.931 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.473 ' HB2' HD13 ' B' ' 31' ' ' ILE . 10.8 m-70 -65.29 -25.76 67.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.7 0.286 . . . . 0.0 110.241 179.455 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.445 ' O ' HG22 ' A' ' 17' ' ' ILE . . . -70.96 -54.1 12.52 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.351 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.409 ' O ' ' CB ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -69.01 -15.51 63.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.669 179.141 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.593 ' O ' HD12 ' A' ' 20' ' ' LEU . 6.6 mm-40 -84.26 -34.54 23.79 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.973 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.612 ' C ' HD13 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -77.09 -35.54 23.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.901 0.381 . . . . 0.0 110.451 179.668 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.8 -38.95 37.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.362 179.308 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.409 ' CB ' ' O ' ' A' ' 15' ' ' LYS . 3.7 ttt180 -74.0 -26.99 60.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.423 179.588 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.759 ' O ' HG23 ' A' ' 24' ' ' ILE . 10.2 mt -73.2 -42.12 63.04 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.103 179.379 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -61.38 -44.6 96.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.653 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.07 -35.74 81.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.711 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.405 ' OE2' ' CZ ' ' A' ' 19' ' ' ARG . 3.4 mt-10 -66.45 -36.32 82.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.158 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.759 HG23 ' O ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -65.89 -41.53 90.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.99 0.424 . . . . 0.0 110.159 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.403 ' N ' HG13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -58.74 -44.18 90.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.441 179.701 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.76 -49.32 73.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.268 179.601 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.736 ' O ' HG22 ' A' ' 31' ' ' ILE . 1.7 m-70 -62.99 -25.34 68.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.561 179.531 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.453 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 0.0 OUTLIER -75.12 -30.38 60.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.902 179.923 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -75.03 -34.66 61.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.746 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.59 -40.64 61.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.736 HG22 ' O ' ' A' ' 27' ' ' HIS . 4.0 tp -74.22 -26.08 20.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.87 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt -79.07 -36.39 40.91 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.745 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.58 -27.63 45.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.736 179.768 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.465 HD22 HD12 ' B' ' 10' ' ' ILE . 0.8 OUTLIER -79.85 -31.33 40.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.699 179.81 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -77.39 -35.59 54.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.792 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -77.92 -29.95 50.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.712 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.8 t -77.78 -26.86 50.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.734 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.25 -28.24 61.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.87 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.27 -25.21 61.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.924 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -85.55 -36.97 20.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.8 t0 . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.278 -0.868 . . . . 0.0 110.881 -179.975 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.866 0.365 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 3.6 mt -55.74 142.14 35.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' LYS . . . . . 0.623 ' HE2' ' CE1' ' B' ' 5' ' ' HIS . 0.0 OUTLIER -95.9 27.24 3.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.05 -31.73 72.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 5' ' ' HIS . . . . . 0.623 ' CE1' ' HE2' ' B' ' 3' ' ' LYS . 7.8 p80 -59.56 -32.22 70.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.86 -56.68 11.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.903 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.16 -25.12 4.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.762 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -70.95 -58.98 3.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.379 179.667 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.474 ' O ' ' CD2' ' B' ' 13' ' ' HIS . 3.3 mm-40 -56.9 -21.22 28.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.361 179.129 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.465 HD12 HD22 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -71.22 -51.84 31.43 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.636 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 3.2 t -63.31 -27.1 69.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.059 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.445 ' CE1' ' CE1' ' B' ' 13' ' ' HIS . 0.0 OUTLIER -75.0 -43.33 54.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.426 -179.897 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 13' ' ' HIS . . . . . 0.486 ' HB2' HD13 ' A' ' 31' ' ' ILE . 10.8 m-70 -65.3 -25.72 67.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.755 0.312 . . . . 0.0 110.318 179.42 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.442 ' O ' HG22 ' B' ' 17' ' ' ILE . . . -70.97 -54.05 12.69 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.441 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 15' ' ' LYS . . . . . 0.411 ' O ' ' CB ' ' B' ' 19' ' ' ARG . 0.0 OUTLIER -69.03 -15.62 63.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.635 179.1 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.587 ' O ' HD12 ' B' ' 20' ' ' LEU . 6.6 mm-40 -84.18 -34.56 23.95 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.994 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.623 HD13 ' C ' ' B' ' 17' ' ' ILE . 0.0 OUTLIER -77.03 -35.54 23.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.884 0.373 . . . . 0.0 110.477 179.626 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.94 -38.84 36.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.312 179.401 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 19' ' ' ARG . . . . . 0.412 ' CZ ' ' OE2' ' B' ' 23' ' ' GLU . 3.7 ttt180 -73.94 -27.04 60.82 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.444 179.531 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.758 ' HB3' HG22 ' A' ' 24' ' ' ILE . 10.2 mt -73.17 -42.21 63.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.058 179.426 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 21' ' ' GLN . . . . . 0.404 ' O ' HG13 ' B' ' 24' ' ' ILE . 1.9 tt0 -61.29 -44.73 96.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.653 179.62 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.91 -35.75 81.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.77 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 23' ' ' GLU . . . . . 0.412 ' OE2' ' CZ ' ' B' ' 19' ' ' ARG . 3.4 mt-10 -66.5 -36.31 82.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.142 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.758 HG23 ' O ' ' B' ' 20' ' ' LEU . 0.5 OUTLIER -65.86 -41.56 90.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.99 0.424 . . . . 0.0 110.159 179.919 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 25' ' ' GLU . . . . . 0.412 ' N ' HG13 ' B' ' 24' ' ' ILE . 0.0 OUTLIER -58.75 -44.07 90.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.54 179.727 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.8 -49.39 73.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.261 179.546 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 27' ' ' HIS . . . . . 0.729 ' O ' HG22 ' B' ' 31' ' ' ILE . 1.8 m-70 -62.89 -25.33 68.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.644 179.463 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.455 ' HA ' ' CG2' ' B' ' 31' ' ' ILE . 0.0 OUTLIER -75.17 -30.31 60.66 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.886 179.906 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -75.12 -34.6 61.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.734 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.59 -40.54 61.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.933 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.729 HG22 ' O ' ' B' ' 27' ' ' HIS . 4.0 tp -74.37 -26.09 20.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.806 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 2.1 ttmt -79.04 -36.26 41.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.775 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.4 ' O ' ' HB2' ' B' ' 37' ' ' SER . 0.0 OUTLIER -78.78 -27.47 44.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.704 179.798 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.449 HD22 HD12 ' A' ' 10' ' ' ILE . 0.8 OUTLIER -79.97 -31.31 39.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.687 179.79 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -77.36 -35.68 54.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.827 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -77.82 -29.97 50.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.746 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 37' ' ' SER . . . . . 0.4 ' HB2' ' O ' ' B' ' 33' ' ' LYS . 4.8 t -77.74 -26.86 50.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.761 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.33 -28.15 61.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.825 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.38 -25.26 61.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.865 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -85.5 -36.89 20.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 3.8 t0 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.297 -0.859 . . . . 0.0 110.874 -179.966 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.84 0.352 . . . . 0.0 111.082 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.29 -29.06 14.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.813 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 50.75 25.11 1.96 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.982 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.0 tttp -75.54 -42.45 52.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.812 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 3.5 p80 -58.58 -24.83 61.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.812 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.37 -38.36 90.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.828 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -64.85 -25.94 68.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.613 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -72.57 -55.5 6.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.529 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.468 ' O ' ' CD2' ' A' ' 13' ' ' HIS . 0.1 OUTLIER -62.35 -24.31 67.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.481 179.368 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.554 HD11 ' HB3' ' B' ' 34' ' ' LEU . 0.0 OUTLIER -72.3 -46.32 57.62 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.317 179.853 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.7 m -66.76 -25.15 66.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.76 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -77.79 -40.63 40.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.383 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.468 ' CD2' ' O ' ' A' ' 9' ' ' GLU . 7.8 m-70 -66.58 -27.75 67.97 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 110.167 -0.309 . . . . 0.0 110.167 179.285 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.541 ' O ' HG22 ' A' ' 17' ' ' ILE . . . -70.48 -56.23 7.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.411 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.04 -13.1 62.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.494 178.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.822 ' O ' HD23 ' A' ' 20' ' ' LEU . 7.1 tp10 -86.05 -32.13 21.58 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.775 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.619 ' C ' HD13 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -77.22 -37.81 26.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 120.842 0.353 . . . . 0.0 110.415 179.523 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.36 -37.86 56.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.444 179.285 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.24 -29.71 62.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.648 179.732 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.822 HD23 ' O ' ' A' ' 16' ' ' GLU . 1.9 mm? -71.9 -39.1 69.77 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.016 179.52 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.406 ' O ' HG13 ' A' ' 24' ' ' ILE . 1.9 tt0 -62.03 -47.45 84.68 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.538 179.553 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.82 -33.48 75.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.64 179.724 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -67.23 -36.39 81.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.011 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.764 HG22 ' HB3' ' B' ' 20' ' ' LEU . 0.5 OUTLIER -65.82 -41.13 89.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.007 0.432 . . . . 0.0 110.079 179.872 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.406 ' N ' HG13 ' A' ' 24' ' ' ILE . 1.1 tp10 -59.28 -43.11 92.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.465 179.598 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.6 ttm180 -55.84 -50.74 69.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.125 179.495 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.737 ' O ' HG22 ' A' ' 31' ' ' ILE . 4.0 m-70 -62.32 -24.87 67.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.387 179.308 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.451 ' CB ' HG13 ' B' ' 17' ' ' ILE . 2.2 ttpp -74.25 -29.93 61.91 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.648 179.633 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -76.06 -31.8 58.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.796 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.7 m -77.0 -39.09 51.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.737 HG22 ' O ' ' A' ' 27' ' ' HIS . 3.1 tp -75.71 -28.93 19.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.711 179.77 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.87 -34.32 39.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.868 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.9 tttt -78.86 -29.78 44.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.665 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.542 ' HB3' HD11 ' B' ' 10' ' ' ILE . 1.9 mt -78.29 -32.61 49.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.602 179.714 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.7 ttmm -74.65 -37.1 62.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.566 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 22.0 tp60 -72.99 -33.8 66.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.61 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 38.9 m -69.36 -29.77 67.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.663 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.39 -26.96 67.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.723 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -66.56 -25.08 66.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 71.22 152.24 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.904 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.922 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.822 0.344 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.26 -29.14 14.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 50.87 24.98 1.97 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.92 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 11.9 tttp -75.55 -42.27 52.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.874 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 3.5 p80 -58.63 -25.08 62.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.822 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.24 -38.26 90.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -65.03 -25.39 67.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.652 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -73.13 -55.48 6.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.525 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.466 ' O ' ' CD2' ' B' ' 13' ' ' HIS . 0.1 OUTLIER -62.22 -24.32 67.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.43 179.325 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.542 HD11 ' HB3' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -72.04 -47.8 53.01 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.22 179.806 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 2.7 m -65.59 -24.75 67.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.827 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -78.2 -40.55 37.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.487 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 13' ' ' HIS . . . . . 0.466 ' CD2' ' O ' ' B' ' 9' ' ' GLU . 7.8 m-70 -67.04 -27.51 67.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.851 0.357 . . . . 0.0 110.18 179.332 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.634 ' N ' HD13 ' A' ' 31' ' ' ILE . . . -70.85 -55.55 8.24 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.333 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.5 -13.36 62.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.468 178.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.817 ' O ' HD23 ' B' ' 20' ' ' LEU . 7.1 tp10 -85.81 -31.91 22.06 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.789 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.626 HD13 ' C ' ' B' ' 17' ' ' ILE . 0.0 OUTLIER -77.05 -38.01 27.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.843 0.354 . . . . 0.0 110.365 179.555 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.34 -37.83 56.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.34 179.448 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.19 -29.69 63.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.691 179.686 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.817 HD23 ' O ' ' B' ' 16' ' ' GLU . 1.9 mm? -71.88 -39.11 69.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.308 -0.406 . . . . 0.0 109.999 179.499 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 21' ' ' GLN . . . . . 0.408 ' O ' HG13 ' B' ' 24' ' ' ILE . 2.0 tt0 -62.14 -47.42 84.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.487 179.644 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.0 -33.26 75.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.625 179.728 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -67.42 -36.35 81.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.969 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.766 HG22 ' HB3' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -65.8 -41.16 89.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.026 0.441 . . . . 0.0 110.045 179.847 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 25' ' ' GLU . . . . . 0.408 ' N ' HG13 ' B' ' 24' ' ' ILE . 1.1 tp10 -59.32 -43.05 92.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.462 179.584 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 8.5 ttm180 -55.75 -50.59 69.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.176 179.439 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' HIS . . . . . 0.724 ' O ' HG22 ' B' ' 31' ' ' ILE . 3.9 m-70 -62.6 -24.83 67.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.357 179.311 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.454 ' CB ' HG13 ' A' ' 17' ' ' ILE . 2.1 ttpp -74.36 -29.65 61.66 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.655 179.626 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -76.28 -32.27 58.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.82 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 4.6 m -76.62 -38.79 54.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.724 HG22 ' O ' ' B' ' 27' ' ' HIS . 3.6 tp -75.84 -29.27 19.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.772 179.784 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.57 -33.82 41.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.821 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 24.8 tttt -79.19 -29.86 43.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.593 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.554 ' HB3' HD11 ' A' ' 10' ' ' ILE . 2.0 mt -78.24 -32.14 49.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.609 179.742 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 2.4 ttmm -75.1 -37.46 61.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.656 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 22.1 tp60 -72.78 -33.8 66.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.655 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 39.1 m -69.38 -29.7 67.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.701 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.42 -27.04 67.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.662 179.814 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -66.41 -25.23 66.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 71.25 152.13 0.11 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.909 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.91 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.828 ' HB3' ' HG2' ' A' ' 4' ' ' LYS . . . . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 120.779 0.323 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.405 ' HB3' ' HD2' ' A' ' 3' ' ' LYS . 0.1 OUTLIER -120.95 -41.24 2.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.942 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.405 ' HD2' ' HB3' ' A' ' 2' ' ' LEU . 0.1 OUTLIER -117.78 26.83 9.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.828 ' HG2' ' HB3' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -89.65 -35.81 15.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.956 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 3.3 p80 -58.98 -25.55 63.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.824 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -61.63 -39.01 89.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.855 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.17 -26.38 68.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.668 179.745 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -72.42 -56.7 5.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.406 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.46 ' O ' ' CD2' ' A' ' 13' ' ' HIS . 0.1 OUTLIER -62.16 -21.28 64.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.524 179.335 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.43 ' CG1' ' HB3' ' B' ' 34' ' ' LEU . 0.0 OUTLIER -75.51 -46.18 37.87 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.415 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.08 -25.38 65.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.72 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.433 ' CE1' ' CE1' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -75.87 -45.76 33.87 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.256 179.934 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.46 ' CD2' ' O ' ' A' ' 9' ' ' GLU . 9.9 m-70 -62.52 -31.22 71.95 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.866 0.365 . . . . 0.0 110.142 179.341 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.693 ' N ' HD13 ' B' ' 31' ' ' ILE . . . -65.17 -54.78 24.44 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.421 179.768 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.403 ' O ' ' CG ' ' A' ' 19' ' ' ARG . 9.0 mtmt -66.7 -16.42 64.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.677 179.166 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.66 ' O ' HD23 ' A' ' 20' ' ' LEU . 1.6 mm-40 -81.87 -33.36 30.6 Favored 'General case' 0 N--CA 1.456 -0.125 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.272 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.531 HD12 ' CB ' ' B' ' 28' ' ' LYS . 2.7 tt -79.18 -33.69 15.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 120.893 0.378 . . . . 0.0 110.517 179.75 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -78.75 -36.46 43.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.469 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.403 ' CG ' ' O ' ' A' ' 15' ' ' LYS . 1.4 mmm-85 -74.97 -33.61 61.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.737 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.863 ' HB3' HG22 ' B' ' 24' ' ' ILE . 2.1 mm? -72.37 -35.67 68.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.148 179.497 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.694 ' HG3' HD13 ' B' ' 24' ' ' ILE . 1.6 mt-30 -64.35 -45.3 88.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.519 179.584 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.09 -36.91 85.16 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.645 179.708 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.6 tp10 -63.94 -40.98 97.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.03 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.879 HG22 ' HB3' ' B' ' 20' ' ' LEU . 0.6 OUTLIER -62.61 -38.67 82.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 121.027 0.442 . . . . 0.0 110.129 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.406 ' N ' HG13 ' A' ' 24' ' ' ILE . 2.1 tp10 -59.12 -44.69 92.03 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.493 179.705 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.7 ttt180 -55.35 -49.5 72.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.126 179.523 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.794 ' O ' HG22 ' A' ' 31' ' ' ILE . 7.5 m-70 -63.24 -25.99 68.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.372 179.328 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.53 ' CB ' HD12 ' B' ' 17' ' ' ILE . 20.6 ttmm -75.47 -26.37 58.16 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.783 179.718 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -77.39 -34.72 54.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.692 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.1 m -75.42 -40.39 57.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.754 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.794 HG22 ' O ' ' A' ' 27' ' ' HIS . 3.5 tp -76.87 -27.38 16.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -82.49 -28.57 31.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.769 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.6 tttt -81.95 -33.21 30.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.645 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.8 -30.94 40.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.59 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.48 -31.13 37.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.824 179.771 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -80.57 -28.92 37.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.783 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.3 t -79.92 -27.88 39.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.79 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.8 -26.32 49.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.83 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -78.55 -25.46 45.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 62.08 64.87 0.94 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.888 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 . . . . . 0 C--O 1.248 0.984 0 CA-C-O 118.282 -0.866 . . . . 0.0 110.85 179.941 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' ALA . . . . . 0.808 ' HB3' ' HG2' ' B' ' 4' ' ' LYS . . . . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.774 0.321 . . . . 0.0 111.034 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 2' ' ' LEU . . . . . 0.42 ' HB3' ' HD2' ' B' ' 3' ' ' LYS . 0.1 OUTLIER -120.81 -41.24 2.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 3' ' ' LYS . . . . . 0.42 ' HD2' ' HB3' ' B' ' 2' ' ' LEU . 0.1 OUTLIER -117.73 27.0 9.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.869 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 4' ' ' LYS . . . . . 0.808 ' HG2' ' HB3' ' B' ' 1' ' ' ALA . 0.0 OUTLIER -89.88 -35.79 15.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.794 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 3.4 p80 -59.05 -25.72 63.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.809 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -61.52 -38.7 88.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.811 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.5 -26.4 68.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.598 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -72.28 -56.45 5.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.478 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.47 ' O ' ' CD2' ' B' ' 13' ' ' HIS . 0.1 OUTLIER -62.18 -21.84 65.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.572 179.365 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -74.96 -46.04 41.32 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.407 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 6.2 t -68.0 -26.22 65.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.722 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.441 ' CE1' ' CE1' ' B' ' 13' ' ' HIS . 0.0 OUTLIER -75.27 -45.56 39.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.292 179.912 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 13' ' ' HIS . . . . . 0.47 ' CD2' ' O ' ' B' ' 9' ' ' GLU . 10.0 m-70 -62.53 -30.53 71.36 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 179.352 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.577 ' N ' HD13 ' A' ' 31' ' ' ILE . . . -65.63 -55.62 16.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.357 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 15' ' ' LYS . . . . . 0.421 ' O ' ' CG ' ' B' ' 19' ' ' ARG . 9.4 mtmt -66.38 -15.94 63.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.616 179.171 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.652 ' O ' HD23 ' B' ' 20' ' ' LEU . 1.6 mm-40 -82.21 -33.88 29.17 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.218 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.53 HD12 ' CB ' ' A' ' 28' ' ' LYS . 2.7 tt -79.16 -33.39 15.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.838 0.352 . . . . 0.0 110.501 179.627 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -78.84 -36.44 42.42 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.546 179.419 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' ARG . . . . . 0.421 ' CG ' ' O ' ' B' ' 15' ' ' LYS . 1.6 mmm-85 -75.0 -33.51 61.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.675 179.727 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.879 ' HB3' HG22 ' A' ' 24' ' ' ILE . 2.2 mm? -72.35 -35.74 68.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.054 179.619 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 21' ' ' GLN . . . . . 0.681 ' HG3' HD13 ' A' ' 24' ' ' ILE . 1.6 mt-30 -64.29 -45.51 87.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.529 179.564 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.88 -37.04 85.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.604 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 -63.82 -41.04 97.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.986 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.863 HG22 ' HB3' ' A' ' 20' ' ' LEU . 0.6 OUTLIER -62.46 -38.7 82.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.029 0.442 . . . . 0.0 110.158 179.864 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 25' ' ' GLU . . . . . 0.408 ' N ' HG13 ' B' ' 24' ' ' ILE . 2.1 tp10 -59.04 -44.92 91.83 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.515 179.718 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 18.5 ttt180 -55.16 -49.56 71.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.187 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' HIS . . . . . 0.794 ' O ' HG22 ' B' ' 31' ' ' ILE . 7.4 m-70 -63.13 -26.14 68.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.414 179.332 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.531 ' CB ' HD12 ' A' ' 17' ' ' ILE . 20.7 ttmm -75.34 -26.43 58.57 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.712 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -77.39 -34.25 54.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.668 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 3.1 m -75.79 -40.47 55.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.82 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.794 HG22 ' O ' ' B' ' 27' ' ' HIS . 3.0 tp -77.05 -27.24 16.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.797 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -82.67 -28.86 30.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.839 179.694 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 14.6 tttt -81.7 -33.33 31.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.675 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.43 ' HB3' ' CG1' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -79.58 -31.42 41.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.557 179.714 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.78 -31.27 40.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.737 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -80.36 -29.08 37.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.734 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 2.2 t -79.76 -28.12 40.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.84 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.67 -26.06 50.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -78.6 -25.69 45.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.906 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 62.17 64.71 0.95 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.906 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 . . . . . 0 C--O 1.248 0.98 0 CA-C-O 118.274 -0.869 . . . . 0.0 110.881 179.984 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.779 0.323 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.47 -26.04 41.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 20.3 mttm -95.19 25.97 4.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.57 -37.74 74.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -55.47 -28.35 53.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -58.88 -44.5 91.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.877 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -58.04 -26.53 62.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.635 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -71.64 -58.99 2.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.222 179.582 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.74 -21.4 27.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.352 179.024 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.407 HG22 ' N ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -70.83 -52.63 26.56 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.579 179.927 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.407 ' N ' HG22 ' A' ' 10' ' ' ILE . 0.2 OUTLIER -63.61 -23.89 67.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.042 -179.903 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.449 ' CE1' ' CE1' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -76.47 -45.11 32.62 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.355 -179.923 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.566 ' HD2' HD13 ' B' ' 34' ' ' LEU . 10.5 m-70 -64.5 -26.38 68.4 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.83 0.347 . . . . 0.0 110.269 179.328 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.451 ' N ' HD13 ' B' ' 31' ' ' ILE . . . -69.88 -55.2 10.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.371 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.415 ' O ' ' CB ' ' A' ' 19' ' ' ARG . 2.1 mttp -68.17 -14.7 63.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.593 179.055 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.63 ' O ' HD12 ' A' ' 20' ' ' LEU . 8.1 mm-40 -84.55 -34.65 23.2 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.122 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.616 ' C ' HD13 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -78.29 -34.16 18.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.841 0.353 . . . . 0.0 110.35 179.601 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.28 -39.19 33.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.32 179.369 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.415 ' CB ' ' O ' ' A' ' 15' ' ' LYS . 0.7 OUTLIER -73.86 -29.02 61.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.475 179.632 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.81 ' HB3' HG22 ' B' ' 24' ' ' ILE . 12.9 mt -72.77 -39.89 66.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.048 179.393 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.404 ' O ' HG13 ' A' ' 24' ' ' ILE . 15.6 tt0 -61.91 -45.35 94.11 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.684 179.691 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.37 -36.93 85.33 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.721 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.59 -38.18 90.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.126 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.808 HG22 ' HB3' ' B' ' 20' ' ' LEU . 0.5 OUTLIER -65.14 -39.88 86.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.072 0.463 . . . . 0.0 110.23 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.411 ' N ' HG13 ' A' ' 24' ' ' ILE . 1.5 tp10 -58.57 -44.45 89.73 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.494 179.671 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.5 -49.86 73.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.35 179.627 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.582 ' CD2' ' HB3' ' B' ' 16' ' ' GLU . 0.7 OUTLIER -62.99 -25.05 68.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.462 179.531 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.483 ' HA ' HG22 ' A' ' 31' ' ' ILE . 8.3 ttpt -77.84 -26.18 49.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.83 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -76.37 -36.03 58.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.829 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.2 m -73.69 -41.13 63.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.681 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.529 HD13 ' N ' ' B' ' 14' ' ' ALA . 5.0 tp -71.87 -27.28 27.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.222 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.69 -36.4 37.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.025 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.0 ttmt -77.96 -26.68 48.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.774 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.571 HD13 ' HD2' ' B' ' 13' ' ' HIS . 0.2 OUTLIER -80.32 -33.84 37.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.614 179.773 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.85 -34.46 62.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.662 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -77.43 -32.39 54.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.753 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 86.1 p -76.5 -27.71 56.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.755 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.69 -26.37 59.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.792 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -71.0 -28.41 64.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.797 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -106.17 -162.96 0.89 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.833 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.281 -0.866 . . . . 0.0 110.913 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.782 0.325 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.52 -26.04 41.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 20.6 mttm -95.09 25.96 3.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.58 -37.78 73.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.857 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -55.53 -28.3 53.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -58.93 -44.38 91.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.831 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -58.12 -26.55 62.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.688 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -71.77 -58.97 3.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.133 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.77 -21.32 27.59 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.295 179.034 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.407 HG13 ' HB3' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -70.74 -52.81 25.42 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.579 179.904 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 11' ' ' SER . . . . . 0.403 ' N ' HG22 ' B' ' 10' ' ' ILE . 0.2 OUTLIER -63.47 -23.69 67.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.053 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.455 ' CE1' ' CE1' ' B' ' 13' ' ' HIS . 0.0 OUTLIER -76.83 -44.73 31.23 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.405 -179.815 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 13' ' ' HIS . . . . . 0.571 ' HD2' HD13 ' A' ' 34' ' ' LEU . 10.6 m-70 -64.99 -26.2 68.19 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.246 179.313 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.529 ' N ' HD13 ' A' ' 31' ' ' ILE . . . -70.31 -54.75 11.32 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.432 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 15' ' ' LYS . . . . . 0.4 ' O ' ' CB ' ' B' ' 19' ' ' ARG . 2.0 mttp -68.33 -15.03 63.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.635 179.034 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.605 ' O ' HD12 ' B' ' 20' ' ' LEU . 8.1 mm-40 -84.26 -34.85 23.74 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.039 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.615 HD13 ' C ' ' B' ' 17' ' ' ILE . 0.0 OUTLIER -77.74 -34.6 20.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.926 0.393 . . . . 0.0 110.444 179.597 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.8 -39.21 36.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.422 179.334 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 19' ' ' ARG . . . . . 0.4 ' CB ' ' O ' ' B' ' 15' ' ' LYS . 0.8 OUTLIER -74.07 -28.32 61.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.51 179.657 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.808 ' HB3' HG22 ' A' ' 24' ' ' ILE . 13.0 mt -73.6 -39.29 64.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.045 179.472 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 21' ' ' GLN . . . . . 0.411 ' O ' HG13 ' B' ' 24' ' ' ILE . 15.8 tt0 -62.59 -45.18 94.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.58 179.553 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.48 -37.03 85.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.731 179.763 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.36 -38.6 91.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.119 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.81 HG22 ' HB3' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -64.78 -39.91 87.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.938 0.399 . . . . 0.0 110.178 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 25' ' ' GLU . . . . . 0.413 ' N ' HG13 ' B' ' 24' ' ' ILE . 1.4 tp10 -58.53 -44.41 89.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.544 179.72 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.45 -50.02 72.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.33 179.564 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 27' ' ' HIS . . . . . 0.574 ' CD2' ' HB3' ' A' ' 16' ' ' GLU . 0.7 OUTLIER -62.95 -24.96 68.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.519 179.464 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.48 ' HA ' HG22 ' B' ' 31' ' ' ILE . 8.2 ttpt -77.93 -26.14 48.74 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.772 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -76.57 -36.26 57.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.772 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 1.2 m -73.44 -41.03 63.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.715 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.509 HG22 ' O ' ' B' ' 27' ' ' HIS . 5.4 tp -71.81 -27.67 28.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.221 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.3 -36.32 39.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.989 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 12.0 ttmt -77.96 -26.81 49.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.799 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.566 HD13 ' HD2' ' A' ' 13' ' ' HIS . 0.2 OUTLIER -80.25 -33.54 37.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.642 179.796 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.24 -34.37 61.4 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.776 179.766 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -77.55 -32.28 53.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.738 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 86.2 p -76.58 -27.67 55.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.791 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.61 -26.43 59.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.841 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -70.86 -28.42 64.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -106.17 -162.88 0.89 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.274 -0.87 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.842 0.353 . . . . 0.0 111.071 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.1 mt -107.35 174.71 5.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.61 24.68 5.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.959 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -85.12 -30.21 24.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.847 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 3.6 p80 -55.53 -23.78 28.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.992 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.34 -57.91 7.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.867 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -52.24 -25.54 9.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.681 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -71.22 -58.29 3.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.386 179.623 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.494 ' HG3' ' CE1' ' A' ' 13' ' ' HIS . 1.6 tp10 -56.67 -21.71 29.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.297 179.084 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.859 HD11 ' O ' ' B' ' 34' ' ' LEU . 0.0 OUTLIER -70.1 -54.24 19.77 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.511 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.422 ' N ' HG22 ' A' ' 10' ' ' ILE . 0.2 OUTLIER -64.67 -25.23 67.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.743 179.883 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -75.53 -37.49 60.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.181 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.88 ' O ' HG23 ' A' ' 17' ' ' ILE . 13.2 m-70 -66.32 -32.25 73.54 Favored 'General case' 0 CA--C 1.52 -0.191 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 179.115 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.446 ' N ' HG13 ' B' ' 31' ' ' ILE . . . -64.75 -57.16 9.7 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.172 179.625 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp -62.28 -17.79 59.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.324 178.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.835 ' O ' HD23 ' A' ' 20' ' ' LEU . 31.9 tt0 -80.33 -34.48 36.65 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.973 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.88 HG23 ' O ' ' A' ' 13' ' ' HIS . 1.1 pp -72.57 -35.08 49.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.974 0.416 . . . . 0.0 110.619 179.784 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.427 ' N ' HG13 ' A' ' 17' ' ' ILE . 0.8 OUTLIER -75.19 -44.42 46.61 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.533 179.586 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -70.17 -24.63 63.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.481 179.513 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.835 HD23 ' O ' ' A' ' 16' ' ' GLU . 1.4 mm? -71.14 -43.6 67.23 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.045 179.305 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.46 ' HA ' HG21 ' B' ' 24' ' ' ILE . 0.0 OUTLIER -59.99 -50.54 73.34 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.404 179.446 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.6 -25.74 68.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.669 179.613 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -74.67 -31.51 61.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.934 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.682 HG23 ' O ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -69.9 -42.67 79.84 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 CA-C-O 121.087 0.47 . . . . 0.0 110.057 179.837 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.409 ' N ' HG13 ' A' ' 24' ' ' ILE . 0.4 OUTLIER -63.29 -43.77 96.93 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.421 179.53 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -58.63 -37.38 75.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.311 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.829 ' HB3' HG22 ' B' ' 17' ' ' ILE . 0.2 OUTLIER -68.8 -28.91 67.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.221 179.454 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.464 ' HA ' HG22 ' A' ' 31' ' ' ILE . 4.0 ttpt -72.41 -28.7 63.15 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.745 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.6 -35.62 52.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.801 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.1 m -75.34 -33.1 61.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.96 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.464 HG22 ' HA ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -76.68 -31.6 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.974 179.898 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -76.96 -36.3 56.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.658 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.14 -33.33 61.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.658 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.853 ' O ' HD11 ' B' ' 10' ' ' ILE . 3.7 mt -73.76 -32.74 63.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.605 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -71.46 -40.01 70.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.774 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 13.2 tp60 -75.71 -27.24 58.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.676 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.86 -25.9 48.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.763 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -73.82 -26.7 60.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -70.42 -27.18 64.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 59.0 156.63 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.91 179.946 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 120.893 0.378 . . . . 0.0 111.077 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.1 mt -107.32 174.82 5.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.73 24.64 5.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.947 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -85.11 -30.27 24.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.827 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 3.6 p80 -55.35 -23.97 26.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.967 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.32 -57.74 7.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.896 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -52.34 -25.57 10.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.7 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -71.32 -58.18 3.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.319 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.489 ' HG3' ' CE1' ' B' ' 13' ' ' HIS . 1.6 tp10 -56.79 -21.54 29.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.339 179.033 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.853 HD11 ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -70.28 -54.13 20.01 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.504 179.91 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 11' ' ' SER . . . . . 0.413 ' N ' HG22 ' B' ' 10' ' ' ILE . 0.2 OUTLIER -64.74 -25.31 67.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.789 179.919 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -75.36 -38.35 60.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.097 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 13' ' ' HIS . . . . . 0.883 ' O ' HG23 ' B' ' 17' ' ' ILE . 12.9 m-70 -65.33 -32.49 74.16 Favored 'General case' 0 CA--C 1.52 -0.197 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 179.097 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.441 ' N ' HG13 ' A' ' 31' ' ' ILE . . . -64.73 -57.17 9.7 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.253 179.676 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 3.6 mmtp -62.19 -17.67 58.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.384 178.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.846 ' O ' HD23 ' B' ' 20' ' ' LEU . 31.8 tt0 -80.3 -34.83 36.51 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.023 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.883 HG23 ' O ' ' B' ' 13' ' ' HIS . 1.1 pp -72.18 -35.14 52.05 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 CA-C-O 120.963 0.411 . . . . 0.0 110.668 179.704 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.422 ' N ' HG13 ' B' ' 17' ' ' ILE . 0.8 OUTLIER -74.76 -44.83 47.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.452 179.525 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -69.85 -24.31 63.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.465 179.529 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.846 HD23 ' O ' ' B' ' 16' ' ' GLU . 1.4 mm? -71.65 -42.74 67.19 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.115 179.345 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 21' ' ' GLN . . . . . 0.413 ' HA ' HG21 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -60.65 -50.28 74.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.439 179.231 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.15 -25.43 68.08 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.641 179.591 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -74.7 -32.08 62.06 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.962 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.696 HG23 ' O ' ' B' ' 20' ' ' LEU . 0.5 OUTLIER -69.66 -42.65 80.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.046 0.45 . . . . 0.0 110.009 179.803 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 25' ' ' GLU . . . . . 0.406 ' N ' HG13 ' B' ' 24' ' ' ILE . 0.4 OUTLIER -63.02 -44.05 97.02 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.476 179.573 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -58.54 -37.51 75.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.304 179.472 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' HIS . . . . . 0.807 ' HB3' HG22 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -68.74 -28.84 67.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.333 179.464 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.484 ' HA ' HG22 ' B' ' 31' ' ' ILE . 4.0 ttpt -72.47 -28.8 63.14 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.694 179.766 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.36 -35.75 54.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.864 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -75.24 -33.17 61.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.484 HG22 ' HA ' ' B' ' 28' ' ' LYS . 0.0 OUTLIER -76.76 -31.4 19.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.943 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -77.18 -36.07 55.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.645 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.23 -33.51 61.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.668 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.859 ' O ' HD11 ' A' ' 10' ' ' ILE . 3.7 mt -73.53 -32.84 64.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.641 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -71.36 -40.22 70.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.74 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 13.1 tp60 -75.64 -27.11 58.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.672 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.89 -25.84 48.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.752 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -73.87 -26.69 60.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.86 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -70.41 -27.24 64.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 58.96 156.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.314 -0.85 . . . . 0.0 110.839 -179.966 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.843 0.354 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.86 179.87 0.47 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.83 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -95.05 24.94 4.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.948 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -81.29 -34.01 32.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.823 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 3.4 p80 -51.28 -24.72 4.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.928 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -65.01 -48.13 75.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.806 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -56.46 -26.42 53.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.665 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -70.97 -59.14 2.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.215 179.658 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.471 ' O ' ' CD2' ' A' ' 13' ' ' HIS . 1.9 mt-10 -56.71 -21.57 28.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.33 179.229 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.714 HD12 HD12 ' B' ' 34' ' ' LEU . 0.0 OUTLIER -70.46 -51.51 37.11 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.697 179.928 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 21.4 p -66.34 -22.03 66.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.15 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -80.59 -39.4 27.62 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.559 -179.768 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.626 ' HB2' HD13 ' B' ' 31' ' ' ILE . 8.5 m-70 -70.8 -24.49 62.57 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.328 179.256 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.44 -51.75 12.32 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.447 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.416 ' O ' ' CB ' ' A' ' 19' ' ' ARG . 3.7 mttp -74.15 -14.56 60.98 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.441 178.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.619 ' HG2' ' CD2' ' B' ' 27' ' ' HIS . 0.6 OUTLIER -87.02 -33.5 19.55 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.722 179.777 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.684 ' O ' HD13 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -77.64 -35.67 21.81 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 CA-C-O 120.859 0.362 . . . . 0.0 110.406 179.503 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.65 -39.09 37.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.325 179.254 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.416 ' CB ' ' O ' ' A' ' 15' ' ' LYS . 13.8 tpt85 -73.76 -27.31 61.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.513 179.571 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.81 ' HB3' HG22 ' B' ' 24' ' ' ILE . 13.0 mt -73.1 -41.2 64.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.012 179.417 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.402 ' O ' HG13 ' A' ' 24' ' ' ILE . 21.6 tt0 -61.13 -46.74 89.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.528 179.507 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.87 -33.08 74.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.764 179.748 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.05 -35.06 77.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.059 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.842 HG22 ' HB3' ' B' ' 20' ' ' LEU . 0.5 OUTLIER -66.99 -41.54 87.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.066 0.46 . . . . 0.0 110.117 179.844 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.401 ' N ' HG13 ' A' ' 24' ' ' ILE . 10.9 tt0 -59.16 -44.43 92.11 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.611 179.614 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.84 -49.4 73.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.245 179.554 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.627 ' CD2' ' HG2' ' B' ' 16' ' ' GLU . 9.2 m80 -65.33 -23.46 67.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.624 179.404 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.447 ' CB ' HG13 ' B' ' 17' ' ' ILE . 0.2 OUTLIER -73.41 -32.64 64.55 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.655 179.831 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.74 -32.46 57.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.713 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.8 p -74.98 -35.14 62.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.697 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.628 HD13 ' HB2' ' B' ' 13' ' ' HIS . 7.1 tp -73.31 -34.99 45.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.079 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 48.3 mmtt -76.57 -33.97 58.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.648 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.4 mtpm? -73.87 -31.93 63.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.444 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.723 HD12 HD12 ' B' ' 10' ' ' ILE . 0.0 OUTLIER -70.53 -42.18 71.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.538 179.678 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.91 -38.97 92.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.792 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -75.54 -25.65 57.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.06 -25.31 40.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.416 ' OE2' HD13 ' B' ' 10' ' ' ILE . 1.8 tt0 -76.98 -25.73 53.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -72.79 -28.15 62.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 50.81 86.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.926 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.292 -0.861 . . . . 0.0 110.919 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.793 0.33 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.93 179.75 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -94.88 24.92 4.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.909 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -81.16 -34.03 32.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.921 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 3.5 p80 -51.35 -24.81 5.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.78 -47.75 77.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.861 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -57.06 -25.31 58.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.99 0.424 . . . . 0.0 110.724 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 8.6 m-20 -72.29 -58.41 3.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.219 179.634 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.468 ' O ' ' CD2' ' B' ' 13' ' ' HIS . 1.9 mt-10 -57.06 -21.81 34.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.343 179.107 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.723 HD12 HD12 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -70.37 -52.93 25.42 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.465 179.909 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 21.0 p -64.87 -22.1 66.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.219 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -80.45 -39.98 27.15 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 116.565 -0.288 . . . . 0.0 110.644 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 13' ' ' HIS . . . . . 0.628 ' HB2' HD13 ' A' ' 31' ' ' ILE . 8.6 m-70 -70.3 -24.28 63.0 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.402 179.262 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.57 -51.99 11.62 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.39 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' LYS . . . . . 0.417 ' O ' ' CB ' ' B' ' 19' ' ' ARG . 3.7 mttp -73.92 -14.18 61.01 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.445 178.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.627 ' HG2' ' CD2' ' A' ' 27' ' ' HIS . 0.6 OUTLIER -87.28 -33.63 19.19 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.762 179.786 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.69 HD13 ' O ' ' B' ' 17' ' ' ILE . 0.0 OUTLIER -77.73 -35.45 21.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.812 0.339 . . . . 0.0 110.358 179.537 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.89 -39.22 35.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.361 179.218 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 19' ' ' ARG . . . . . 0.417 ' CB ' ' O ' ' B' ' 15' ' ' LYS . 13.9 tpt85 -73.63 -27.53 61.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.534 179.541 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.842 ' HB3' HG22 ' A' ' 24' ' ' ILE . 13.2 mt -72.69 -41.71 65.01 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 109.892 179.379 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 21' ' ' GLN . . . . . 0.402 ' O ' HG13 ' B' ' 24' ' ' ILE . 21.9 tt0 -60.49 -46.85 88.6 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.504 179.68 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 22' ' ' LYS . . . . . 0.402 ' HA ' ' HE2' ' B' ' 22' ' ' LYS . 0.0 OUTLIER -63.97 -32.89 74.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.753 179.861 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.33 -34.64 76.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.037 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.81 HG22 ' HB3' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -67.56 -41.4 85.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.965 0.412 . . . . 0.0 110.029 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 25' ' ' GLU . . . . . 0.407 ' N ' HG13 ' B' ' 24' ' ' ILE . 11.5 tt0 -59.3 -44.51 92.52 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.5 179.593 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.66 -49.38 73.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.255 179.611 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 27' ' ' HIS . . . . . 0.619 ' CD2' ' HG2' ' A' ' 16' ' ' GLU . 9.2 m80 -65.25 -23.81 67.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.569 179.459 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.439 ' CB ' HG13 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -73.02 -32.87 65.38 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.7 179.824 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.56 -32.31 58.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.771 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 96.1 p -74.94 -35.29 62.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.758 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.626 HD13 ' HB2' ' A' ' 13' ' ' HIS . 7.1 tp -73.32 -34.83 44.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.123 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 48.7 mmtt -76.52 -34.29 58.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.578 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 6.4 mttm -73.56 -31.94 63.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.524 179.62 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.714 HD12 HD12 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -70.48 -42.25 71.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.59 179.709 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.98 -38.82 92.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.881 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -75.58 -25.79 57.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.87 -25.48 40.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 38' ' ' GLU . . . . . 0.433 ' OE2' HD13 ' A' ' 10' ' ' ILE . 1.8 tt0 -76.74 -25.89 53.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.802 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -72.72 -28.24 62.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 50.9 86.89 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.228 -0.891 . . . . 0.0 110.858 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.669 ' HB3' ' HG3' ' A' ' 4' ' ' LYS . . . . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.775 0.322 . . . . 0.0 111.038 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 tp -97.59 139.71 33.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.4 mptt 54.59 32.14 16.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.669 ' HG3' ' HB3' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -61.26 -37.44 83.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.922 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 5.0 p-80 -56.23 -46.9 79.37 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.831 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.32 -47.11 87.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.799 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 57.2 tt0 -57.24 -25.16 58.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.644 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -71.68 -58.48 3.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.311 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.498 ' HG3' ' CE1' ' A' ' 13' ' ' HIS . 3.2 tp10 -57.97 -21.96 46.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.528 179.217 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.922 HD12 HD22 ' B' ' 34' ' ' LEU . 0.0 OUTLIER -73.01 -50.52 31.64 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.499 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 11.4 m -62.42 -29.18 70.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.481 ' CE1' ' CE1' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -70.8 -46.64 62.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.213 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.556 ' CD2' HD12 ' B' ' 34' ' ' LEU . 11.5 m-70 -63.24 -26.83 68.97 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.215 179.062 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.86 -52.01 53.91 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.452 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.44 -21.23 66.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.373 179.198 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.72 ' O ' HD23 ' A' ' 20' ' ' LEU . 44.5 mm-40 -74.2 -42.94 59.0 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.221 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.579 ' O ' HD12 ' B' ' 24' ' ' ILE . 0.3 OUTLIER -71.32 -38.15 68.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.785 0.326 . . . . 0.0 110.565 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -71.88 -29.73 64.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.916 0.389 . . . . 0.0 110.636 179.582 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -72.54 -41.16 66.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.118 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.739 ' O ' HG22 ' A' ' 24' ' ' ILE . 3.8 mm? -71.99 -26.15 62.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.593 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.571 ' OE1' HD11 ' B' ' 24' ' ' ILE . 1.8 tt0 -74.82 -34.83 62.41 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.422 179.45 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.48 -31.82 65.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.016 179.337 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.5 ' HB2' HD12 ' B' ' 20' ' ' LEU . 3.9 mm-40 -70.05 -49.35 52.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.989 179.764 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.739 HG22 ' O ' ' A' ' 20' ' ' LEU . 2.9 tt -65.01 -26.7 40.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 179.461 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 73.6 tt0 -64.59 -48.28 75.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.577 179.532 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.9 ttm180 -66.2 -39.3 89.56 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.821 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.802 ' O ' HG22 ' A' ' 31' ' ' ILE . 11.2 m-70 -72.35 -19.65 61.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.047 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.481 ' HB2' HD12 ' B' ' 17' ' ' ILE . 0.2 OUTLIER -79.2 -36.52 40.03 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.93 0.395 . . . . 0.0 110.552 179.714 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -75.61 -28.67 58.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.496 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.2 t -77.94 -41.81 35.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.846 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.802 HG22 ' O ' ' A' ' 27' ' ' HIS . 5.6 tp -75.74 -27.08 18.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.008 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.4 -32.4 29.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.548 179.553 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.5 tttt -76.87 -32.37 57.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.49 179.57 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.935 HD22 HD12 ' B' ' 10' ' ' ILE . 0.4 OUTLIER -74.22 -40.34 62.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.503 179.607 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.99 -35.93 77.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.581 179.723 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.06 -28.27 62.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.436 179.647 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.7 m -67.95 -29.61 68.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.52 179.706 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -61.8 -31.66 71.9 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.703 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.05 -24.91 61.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.929 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 70.82 109.41 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.951 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.232 -0.89 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 1' ' ' ALA . . . . . 0.669 ' HB3' ' HG3' ' B' ' 4' ' ' LYS . . . . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.843 0.354 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 tp -97.55 139.65 33.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.938 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 3.4 mptt 54.51 32.3 16.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.929 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' LYS . . . . . 0.669 ' HG3' ' HB3' ' B' ' 1' ' ' ALA . 0.0 OUTLIER -61.31 -37.48 83.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 5.0 p-80 -56.12 -47.0 78.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.811 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.36 -47.05 87.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.813 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 57.1 tt0 -57.17 -25.29 58.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.672 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -71.56 -58.45 3.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.415 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.491 ' HG3' ' CE1' ' B' ' 13' ' ' HIS . 3.2 tp10 -58.08 -22.0 48.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.456 179.269 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.935 HD12 HD22 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -73.02 -50.38 32.55 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.508 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 11.5 m -62.53 -29.21 70.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.856 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.474 ' CE1' ' CE1' ' B' ' 13' ' ' HIS . 0.0 OUTLIER -70.79 -46.59 62.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.189 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 13' ' ' HIS . . . . . 0.565 ' HB2' HD13 ' A' ' 31' ' ' ILE . 11.5 m-70 -63.28 -26.86 68.97 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.78 0.324 . . . . 0.0 110.15 179.124 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.93 -51.9 54.47 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.463 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.38 -21.36 66.67 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.418 179.1 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.725 ' O ' HD23 ' B' ' 20' ' ' LEU . 44.7 mm-40 -74.12 -42.94 59.25 Favored 'General case' 0 N--CA 1.456 -0.144 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.29 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.592 ' O ' HD12 ' A' ' 24' ' ' ILE . 0.3 OUTLIER -71.37 -38.15 67.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-O 120.791 0.329 . . . . 0.0 110.596 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -71.76 -29.84 64.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.943 0.401 . . . . 0.0 110.655 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -72.49 -41.15 66.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.118 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.759 ' O ' HG22 ' B' ' 24' ' ' ILE . 3.8 mm? -72.1 -26.1 62.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.516 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 21' ' ' GLN . . . . . 0.564 ' OE1' HD11 ' A' ' 24' ' ' ILE . 1.8 tt0 -74.76 -34.91 62.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.409 179.433 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.43 -31.82 65.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.037 179.32 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 23' ' ' GLU . . . . . 0.519 ' HB2' HD12 ' A' ' 20' ' ' LEU . 3.9 mm-40 -70.17 -49.36 51.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.906 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.759 HG22 ' O ' ' B' ' 20' ' ' LEU . 2.9 tt -64.91 -26.84 41.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 179.453 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 73.6 tt0 -64.41 -48.39 75.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.589 179.504 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 2.9 ttm180 -66.23 -39.26 89.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.818 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' HIS . . . . . 0.808 ' O ' HG22 ' B' ' 31' ' ' ILE . 11.3 m-70 -72.36 -19.64 61.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.091 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.497 ' HB2' HD12 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -79.15 -36.53 40.3 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.845 0.355 . . . . 0.0 110.546 179.686 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -75.66 -28.64 58.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.468 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 5.3 t -77.99 -41.73 35.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.887 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.808 HG22 ' O ' ' B' ' 27' ' ' HIS . 5.6 tp -75.84 -27.05 18.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.947 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.51 -32.22 28.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.538 179.548 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 16.5 tttt -76.91 -32.46 57.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.42 179.576 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.922 HD22 HD12 ' A' ' 10' ' ' ILE . 0.4 OUTLIER -74.23 -40.32 62.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.483 179.689 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.88 -35.96 77.5 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.574 179.664 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.05 -28.24 62.22 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.503 179.603 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 1.7 m -67.95 -29.54 68.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.569 179.68 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -61.87 -31.61 71.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.75 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.1 -24.86 61.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.934 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 70.85 109.38 0.06 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.957 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.763 0.316 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.449 ' H ' HD12 ' A' ' 2' ' ' LEU . 0.2 OUTLIER -110.59 99.82 8.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.936 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.71 49.92 0.97 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.5 pttm -94.8 25.06 4.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -88.64 -33.87 17.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.794 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.417 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 1.0 OUTLIER -62.91 -39.47 94.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.828 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 83.0 mt-10 -63.61 -22.54 66.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.677 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -75.77 -60.05 2.49 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.919 0.39 . . . . 0.0 110.145 179.544 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.502 ' HG3' ' CE1' ' A' ' 13' ' ' HIS . 1.3 tp10 -65.72 -14.37 61.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.442 178.709 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.44 ' O ' ' CD1' ' B' ' 31' ' ' ILE . 13.3 mt -81.68 -43.35 19.88 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.985 179.755 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.1 t -66.02 -29.36 69.71 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.026 0.441 . . . . 0.0 110.227 179.223 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -72.64 -48.15 41.7 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.16 179.702 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.502 ' CE1' ' HG3' ' A' ' 9' ' ' GLU . 11.9 m-70 -59.88 -28.27 67.41 Favored 'General case' 0 CA--C 1.521 -0.151 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.469 179.477 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.502 ' N ' HD13 ' B' ' 31' ' ' ILE . . . -67.28 -55.9 12.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.389 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.81 -13.89 62.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.62 178.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.825 ' O ' HD13 ' A' ' 20' ' ' LEU . 4.9 mm-40 -83.18 -35.26 25.63 Favored 'General case' 0 N--CA 1.457 -0.09 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.158 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.615 ' C ' HD13 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -76.17 -34.95 27.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-O 120.85 0.357 . . . . 0.0 110.465 179.658 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -77.41 -39.24 47.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.468 179.42 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 -73.5 -27.45 61.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.599 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.825 HD13 ' O ' ' A' ' 16' ' ' GLU . 3.7 mp -72.46 -40.9 66.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.109 179.354 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.418 ' HA ' HG21 ' B' ' 24' ' ' ILE . 12.6 tt0 -61.71 -47.56 84.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.595 179.512 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.3 ttpt -63.64 -31.87 73.17 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.587 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.71 -35.46 77.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.959 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.744 HG23 ' O ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -66.75 -41.73 88.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.034 0.445 . . . . 0.0 110.126 179.888 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.42 -43.92 92.98 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.492 179.647 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.76 -49.0 74.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.333 179.552 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.29 -25.83 68.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.649 179.622 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.451 ' CB ' HG13 ' B' ' 17' ' ' ILE . 0.5 OUTLIER -73.81 -33.35 64.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.925 179.868 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -73.3 -32.91 64.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.793 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -75.11 -40.65 59.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.093 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.468 ' HB ' ' HB3' ' B' ' 13' ' ' HIS . 0.0 OUTLIER -76.88 -24.55 15.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.878 0.37 . . . . 0.0 111.105 -179.886 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.3 mmtt -81.0 -31.9 34.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.483 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 35.0 tttt -78.87 -31.65 45.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.64 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.422 ' HB3' HG12 ' B' ' 10' ' ' ILE . 5.1 mt -77.59 -33.89 53.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.667 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.08 -33.92 61.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.738 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.78 -26.32 37.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.822 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.3 m -82.52 -26.79 32.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.717 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -78.66 -25.65 44.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.769 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -75.53 -25.8 57.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -162.89 91.78 0.75 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.94 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.186 -0.911 . . . . 0.0 110.871 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 120.849 0.357 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' LEU . . . . . 0.452 ' H ' HD12 ' B' ' 2' ' ' LEU . 0.2 OUTLIER -110.66 99.92 8.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.92 50.05 0.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.881 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 4.5 pttm -94.97 25.4 4.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -89.01 -33.48 17.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.778 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' HIS . . . . . 0.417 ' O ' ' CG1' ' B' ' 10' ' ' ILE . 1.0 OUTLIER -63.37 -39.32 94.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 83.2 mt-10 -63.35 -23.89 67.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.749 0.309 . . . . 0.0 110.667 179.527 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -74.48 -59.94 2.5 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.153 179.578 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.508 ' HG3' ' CE1' ' B' ' 13' ' ' HIS . 1.4 tp10 -66.15 -13.92 60.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.567 178.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.422 HG12 ' HB3' ' A' ' 34' ' ' LEU . 12.9 mt -82.05 -41.69 18.39 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.074 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 2.9 t -68.81 -28.59 66.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.17 179.381 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.402 ' O ' ' HG3' ' B' ' 15' ' ' LYS . 0.0 OUTLIER -73.33 -48.36 34.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.213 179.682 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 13' ' ' HIS . . . . . 0.508 ' CE1' ' HG3' ' B' ' 9' ' ' GLU . 12.9 m-70 -60.44 -28.35 68.22 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.268 179.285 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.503 ' O ' HG22 ' B' ' 17' ' ' ILE . . . -66.16 -56.27 12.2 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.364 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 15' ' ' LYS . . . . . 0.402 ' HG3' ' O ' ' B' ' 12' ' ' HIS . 0.2 OUTLIER -67.41 -14.27 62.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.61 178.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.822 ' O ' HD13 ' B' ' 20' ' ' LEU . 4.9 mm-40 -82.6 -34.62 27.58 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.066 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.625 HD13 ' C ' ' B' ' 17' ' ' ILE . 0.0 OUTLIER -76.44 -35.19 26.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 120.86 0.362 . . . . 0.0 110.404 179.735 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -77.42 -38.97 48.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.408 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 30.2 mmt180 -73.69 -27.71 61.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.526 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.822 HD13 ' O ' ' B' ' 16' ' ' GLU . 3.6 mp -72.49 -40.81 66.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.051 179.469 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 21' ' ' GLN . . . . . 0.443 ' HA ' HG21 ' A' ' 24' ' ' ILE . 12.6 tt0 -61.76 -47.41 85.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.527 179.581 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 7.4 ttpt -63.77 -31.57 72.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.621 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.96 -35.29 76.59 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.994 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.732 HG23 ' O ' ' B' ' 20' ' ' LEU . 0.5 OUTLIER -66.94 -41.62 87.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.062 0.458 . . . . 0.0 110.103 179.909 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.58 -43.8 93.55 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.42 179.682 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.84 -49.04 74.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.256 179.537 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 27' ' ' HIS . . . . . 0.737 ' O ' HG22 ' B' ' 31' ' ' ILE . 0.2 OUTLIER -62.42 -26.11 68.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.402 179.334 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.461 ' HA ' ' CG2' ' B' ' 31' ' ' ILE . 0.4 OUTLIER -73.72 -28.97 61.99 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.886 179.824 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -76.29 -34.1 59.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.579 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 1.1 m -73.57 -41.12 63.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.773 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.737 HG22 ' O ' ' B' ' 27' ' ' HIS . 2.8 tp -72.74 -29.18 29.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 13.7 mmtt -79.53 -32.07 42.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.001 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 31.5 tttt -79.7 -30.06 40.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.888 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.415 ' HB3' HG12 ' A' ' 10' ' ' ILE . 5.2 mt -80.2 -31.42 38.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.658 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.2 -33.02 50.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.698 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.33 -27.05 35.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.685 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 3.3 m -82.0 -26.86 33.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.743 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -78.55 -25.72 45.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.774 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -75.64 -25.73 57.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.915 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -162.95 91.9 0.75 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.914 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.197 -0.906 . . . . 0.0 110.912 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.831 0.348 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.489 HD22 ' H ' ' A' ' 2' ' ' LEU . 2.9 mm? -56.96 174.73 0.15 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.427 ' HG2' ' CE1' ' A' ' 5' ' ' HIS . 1.8 mptp? -86.07 -83.79 0.17 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.936 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm 50.05 25.38 1.68 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.954 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.427 ' CE1' ' HG2' ' A' ' 3' ' ' LYS . 3.4 p80 -104.21 -30.4 10.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.563 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -74.05 -37.5 64.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.741 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.49 -33.38 74.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.601 179.726 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 51.0 m-20 -70.03 -56.54 6.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.112 179.458 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.469 ' O ' ' CD2' ' A' ' 13' ' ' HIS . 0.7 OUTLIER -58.42 -20.18 42.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.257 178.946 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.805 HD12 HD12 ' B' ' 34' ' ' LEU . 0.0 OUTLIER -71.14 -52.16 29.3 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.596 179.924 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 18.3 p -64.86 -24.54 67.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.018 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -76.98 -42.44 38.87 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.595 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.498 ' HB2' HD13 ' B' ' 31' ' ' ILE . 7.8 m-70 -67.16 -25.34 66.11 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.2 179.092 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.44 ' N ' HD13 ' B' ' 31' ' ' ILE . . . -70.38 -55.2 9.67 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.089 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.6 -12.77 61.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.329 178.627 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.82 ' O ' HD23 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -83.29 -38.59 21.94 Favored 'General case' 0 N--CA 1.456 -0.175 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.165 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.662 HD12 ' CB ' ' B' ' 28' ' ' LYS . 2.6 tt -74.4 -34.37 36.14 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-O 120.877 0.37 . . . . 0.0 110.379 179.514 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -76.33 -41.65 47.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.573 179.533 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? -73.18 -25.02 60.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.659 179.726 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.82 HD23 ' O ' ' A' ' 16' ' ' GLU . 1.6 mm? -73.81 -39.67 63.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.942 179.418 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.415 ' CG ' HD13 ' B' ' 24' ' ' ILE . 3.2 mt-30 -62.67 -49.88 73.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.343 179.416 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.48 -29.51 70.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.44 179.628 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.21 -36.14 76.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.761 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.746 HG23 ' O ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -66.53 -41.73 88.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.036 0.446 . . . . 0.0 110.053 179.857 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.4 ' N ' HG13 ' A' ' 24' ' ' ILE . 10.9 tt0 -58.78 -43.87 90.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.391 179.556 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.5 tpp85 -56.1 -48.25 76.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.431 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.401 ' CG ' ' HB3' ' B' ' 16' ' ' GLU . 1.7 m-70 -63.59 -25.44 68.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.478 179.546 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.662 ' CB ' HD12 ' B' ' 17' ' ' ILE . 0.0 OUTLIER -72.35 -35.61 68.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.825 179.842 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -73.4 -31.54 63.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.975 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.3 t -73.47 -36.69 65.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.802 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.533 HD13 ' HB2' ' B' ' 13' ' ' HIS . 5.7 tp -71.11 -35.13 57.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.15 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.7 mmtp -76.4 -34.11 58.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.934 0.397 . . . . 0.0 110.76 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.3 mttt -74.96 -28.55 60.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.449 179.77 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.819 HD12 HD12 ' B' ' 10' ' ' ILE . 0.0 OUTLIER -72.73 -43.03 63.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.553 179.676 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.435 ' HA ' HD11 ' B' ' 10' ' ' ILE . 0.1 OUTLIER -66.21 -37.98 86.86 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.781 179.895 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 41.6 tp60 -74.07 -25.17 59.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.848 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.2 t -76.37 -35.95 58.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.92 -25.69 64.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.86 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -73.77 -25.45 60.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 70.23 171.02 0.31 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.912 179.997 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.81 0.338 . . . . 0.0 111.065 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' LEU . . . . . 0.494 HD22 ' H ' ' B' ' 2' ' ' LEU . 2.9 mm? -56.96 174.74 0.15 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.831 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 3' ' ' LYS . . . . . 0.422 ' HG2' ' CE1' ' B' ' 5' ' ' HIS . 1.8 mptp? -86.2 -83.81 0.18 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm 50.09 25.36 1.69 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.028 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' HIS . . . . . 0.422 ' CE1' ' HG2' ' B' ' 3' ' ' LYS . 3.4 p80 -104.21 -30.4 10.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.567 179.781 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -74.01 -37.65 64.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.713 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.46 -33.29 74.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.552 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 50.6 m-20 -70.1 -56.67 6.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.085 179.518 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.469 ' O ' ' CD2' ' B' ' 13' ' ' HIS . 0.7 OUTLIER -58.26 -20.26 40.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.298 178.922 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.819 HD12 HD12 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -71.11 -52.07 30.04 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.618 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 18.2 p -64.87 -24.59 67.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.006 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -76.85 -42.57 39.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.52 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 13' ' ' HIS . . . . . 0.533 ' HB2' HD13 ' A' ' 31' ' ' ILE . 7.8 m-70 -66.99 -25.58 66.38 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.146 179.122 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.1 -55.3 9.81 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.044 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.62 -12.69 61.67 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.283 178.628 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.82 ' O ' HD23 ' B' ' 20' ' ' LEU . 0.1 OUTLIER -83.44 -38.52 21.78 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.144 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.662 HD12 ' CB ' ' A' ' 28' ' ' LYS . 2.6 tt -74.53 -34.21 34.79 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-O 120.904 0.383 . . . . 0.0 110.339 179.559 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -76.5 -41.49 46.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.655 179.495 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? -73.23 -25.09 60.59 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.609 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.82 HD23 ' O ' ' B' ' 16' ' ' GLU . 1.6 mm? -73.64 -39.78 64.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 109.945 179.411 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 21' ' ' GLN . . . . . 0.413 ' CG ' HD13 ' A' ' 24' ' ' ILE . 3.2 mt-30 -62.69 -49.77 73.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.402 179.449 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.53 -29.59 70.83 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.42 179.62 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.1 -36.04 77.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.794 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.728 HG23 ' O ' ' B' ' 20' ' ' LEU . 0.5 OUTLIER -66.62 -41.62 88.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.032 0.444 . . . . 0.0 110.057 179.854 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -58.88 -43.79 91.0 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.43 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 6.5 tpp85 -56.1 -48.43 76.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.389 179.567 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' HIS . . . . . 0.416 ' CG ' ' HB3' ' A' ' 16' ' ' GLU . 1.7 m-70 -63.39 -25.55 68.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.525 179.614 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.662 ' CB ' HD12 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -72.23 -35.84 68.97 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.828 179.876 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -73.24 -31.31 64.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.937 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 1.3 t -73.71 -36.67 65.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.786 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.498 HD13 ' HB2' ' A' ' 13' ' ' HIS . 5.7 tp -71.19 -34.91 56.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.185 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 5.7 mmtp -76.6 -34.09 58.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.769 179.759 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 18.3 mttt -74.9 -28.61 60.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.437 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.805 HD12 HD12 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -72.74 -42.94 63.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.554 179.711 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 35' ' ' LYS . . . . . 0.421 ' HA ' HD11 ' A' ' 10' ' ' ILE . 0.1 OUTLIER -66.23 -37.89 86.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.823 179.902 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 41.6 tp60 -74.22 -25.15 59.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.784 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 2.2 t -76.37 -35.82 58.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.96 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.07 -25.63 64.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.826 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -73.8 -25.49 60.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 70.17 170.99 0.31 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.925 179.974 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.848 0.356 . . . . 0.0 111.053 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.4 mp -93.85 80.79 4.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.48 ' HG2' ' CE1' ' A' ' 6' ' ' HIS . 0.2 OUTLIER -52.19 -65.66 0.52 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.434 ' CB ' ' O ' ' A' ' 3' ' ' LYS . 0.4 OUTLIER 85.15 -48.17 0.08 Allowed 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.294 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -48.9 -32.53 9.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.944 0.402 . . . . 0.0 110.903 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.48 ' CE1' ' HG2' ' A' ' 3' ' ' LYS . 0.3 OUTLIER -60.89 -54.92 39.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.375 179.677 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -52.76 -23.3 6.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.709 179.451 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -69.78 -60.96 1.98 Allowed 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.867 0.365 . . . . 0.0 110.503 179.721 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.475 ' CG ' ' NE2' ' A' ' 13' ' ' HIS . 1.3 tt0 -68.58 -11.18 59.64 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.76 179.113 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.739 HD13 ' HA ' ' B' ' 35' ' ' LYS . 68.8 mt -86.35 -32.07 6.59 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.903 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.3 t -76.8 -29.98 56.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.704 179.029 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -72.62 -50.29 26.28 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.639 179.195 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.518 ' O ' HG23 ' A' ' 17' ' ' ILE . 14.2 m-70 -58.32 -36.22 73.04 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.033 179.275 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.443 ' N ' HG13 ' B' ' 31' ' ' ILE . . . -58.52 -52.75 64.31 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.298 179.713 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.0 tttt -60.3 -21.93 62.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.326 179.027 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.481 ' HB3' ' CE1' ' B' ' 27' ' ' HIS . 6.7 mm-40 -75.51 -39.01 59.01 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.258 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.874 HG22 ' HB3' ' B' ' 27' ' ' HIS . 1.1 pp -70.03 -34.61 60.36 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 CA-C-O 120.963 0.411 . . . . 0.0 110.978 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.431 ' N ' HG13 ' A' ' 17' ' ' ILE . 3.6 tt0 -73.51 -41.15 63.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.826 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.4 mtt180 -69.03 -30.79 69.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.573 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.63 ' O ' HG23 ' A' ' 24' ' ' ILE . 0.1 OUTLIER -69.36 -39.87 77.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.327 179.562 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.413 ' O ' HG13 ' A' ' 24' ' ' ILE . 4.8 tp-100 -61.72 -46.73 88.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.483 179.434 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.9 mtpt -60.9 -34.14 74.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.684 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.63 -39.47 88.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.007 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.63 HG23 ' O ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -62.27 -40.76 88.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.997 0.427 . . . . 0.0 110.2 179.88 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.417 ' N ' HG13 ' A' ' 24' ' ' ILE . 17.7 tp10 -61.9 -40.87 96.92 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.36 179.579 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.26 -43.29 78.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.157 179.513 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.848 ' HB3' HG22 ' B' ' 17' ' ' ILE . 0.2 OUTLIER -67.25 -28.11 67.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.167 179.394 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.54 ' HA ' HG22 ' A' ' 31' ' ' ILE . 1.4 tmmt? -73.59 -25.72 60.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.684 179.676 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -77.14 -39.41 49.31 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.67 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.25 -36.18 68.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.827 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.54 HG22 ' HA ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -76.26 -32.82 22.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.012 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.65 -27.67 51.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.662 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.82 -36.45 56.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.629 179.812 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.419 ' HB3' HG12 ' B' ' 10' ' ' ILE . 1.7 mt -71.6 -38.61 70.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.783 179.715 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.714 ' HA ' HD13 ' B' ' 10' ' ' ILE . 5.4 ttmm -70.28 -34.63 72.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -70.95 -33.01 70.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 28.7 p -68.15 -29.06 67.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -67.43 -27.55 67.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.29 -25.84 26.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 70.55 -84.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.919 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.8 0.333 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 1.4 mp -93.88 80.77 4.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' LYS . . . . . 0.485 ' HG2' ' CE1' ' B' ' 6' ' ' HIS . 0.2 OUTLIER -52.18 -65.7 0.51 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 179.932 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 4' ' ' LYS . . . . . 0.435 ' CB ' ' O ' ' B' ' 3' ' ' LYS . 0.4 OUTLIER 85.13 -48.17 0.08 Allowed 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.261 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -48.89 -32.34 8.77 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.877 0.37 . . . . 0.0 110.857 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' HIS . . . . . 0.485 ' CE1' ' HG2' ' B' ' 3' ' ' LYS . 0.3 OUTLIER -61.07 -54.87 39.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.323 179.736 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.403 ' HA ' ' HB ' ' B' ' 10' ' ' ILE . 3.2 tp10 -52.85 -23.35 6.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.684 179.392 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -69.75 -60.87 2.04 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.55 179.707 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.465 ' CG ' ' NE2' ' B' ' 13' ' ' HIS . 1.3 tt0 -68.76 -11.1 59.94 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.776 179.002 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.714 HD13 ' HA ' ' A' ' 35' ' ' LYS . 68.9 mt -86.65 -31.42 6.2 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.936 179.765 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 2.3 t -77.27 -29.91 54.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.65 178.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -72.77 -50.18 26.09 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.622 179.216 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 13' ' ' HIS . . . . . 0.532 ' O ' HG23 ' B' ' 17' ' ' ILE . 14.1 m-70 -58.25 -36.44 73.21 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.12 179.207 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.448 ' N ' HG13 ' A' ' 31' ' ' ILE . . . -58.32 -52.49 65.36 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.311 179.691 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -60.73 -21.65 63.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.319 179.03 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.625 ' HB3' ' CD2' ' A' ' 27' ' ' HIS . 6.6 mm-40 -75.99 -38.2 57.68 Favored 'General case' 0 C--N 1.334 -0.097 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.271 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.848 HG22 ' HB3' ' A' ' 27' ' ' HIS . 1.1 pp -70.94 -34.24 54.96 Favored 'Isoleucine or valine' 0 C--O 1.232 0.168 0 CA-C-O 120.933 0.397 . . . . 0.0 110.976 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.427 ' N ' HG13 ' B' ' 17' ' ' ILE . 3.8 tt0 -74.23 -41.03 62.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.781 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 -68.34 -32.53 72.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.555 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.559 HD12 HG22 ' A' ' 24' ' ' ILE . 0.1 OUTLIER -66.52 -44.58 82.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.044 179.439 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 21' ' ' GLN . . . . . 0.411 ' O ' HG13 ' B' ' 24' ' ' ILE . 4.7 tp-100 -57.2 -47.49 81.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.706 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 4.8 mtpt -60.23 -33.17 71.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.626 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.48 -39.34 85.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.131 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.595 HG22 HD12 ' A' ' 20' ' ' LEU . 0.6 OUTLIER -62.64 -40.28 87.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.987 0.422 . . . . 0.0 110.255 179.919 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 25' ' ' GLU . . . . . 0.41 ' N ' HG13 ' B' ' 24' ' ' ILE . 18.1 tp10 -62.2 -40.9 97.61 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.34 179.603 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.39 -42.93 78.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.143 179.477 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 27' ' ' HIS . . . . . 0.874 ' HB3' HG22 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -67.52 -28.24 67.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.154 179.357 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.545 ' HA ' HG22 ' B' ' 31' ' ' ILE . 1.4 tmmt? -73.63 -25.71 60.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.722 179.714 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -77.19 -39.47 48.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.621 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.2 -36.18 69.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.779 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.545 HG22 ' HA ' ' B' ' 28' ' ' LYS . 0.0 OUTLIER -76.17 -32.84 23.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.065 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.7 -27.48 50.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.672 179.783 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.88 -36.43 56.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.633 179.763 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.403 ' HB3' HG12 ' A' ' 10' ' ' ILE . 1.8 mt -71.67 -38.51 70.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.74 179.718 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 35' ' ' LYS . . . . . 0.739 ' HA ' HD13 ' A' ' 10' ' ' ILE . 5.5 ttmm -70.52 -34.42 72.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.803 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -71.16 -32.91 69.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.887 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 28.7 p -68.23 -29.11 67.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -67.39 -27.56 67.19 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.3 -25.78 26.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 70.47 -84.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.998 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.316 -0.85 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.299 0 CA-C-O 120.835 0.35 . . . . 0.0 111.065 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.3 mp -63.55 -175.55 0.13 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.89 71.27 0.93 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -84.8 -39.37 18.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.86 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 31.4 p80 -50.95 -32.39 20.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.79 -55.66 21.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -51.56 -24.74 5.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.815 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -71.54 -59.08 2.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.332 179.661 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.01 -21.87 23.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.359 179.092 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.762 HD12 HD22 ' B' ' 34' ' ' LEU . 0.0 OUTLIER -70.82 -53.51 21.64 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.655 179.904 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.41 ' N ' ' CG2' ' A' ' 10' ' ' ILE . 0.4 OUTLIER -61.9 -24.74 67.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.99 -179.917 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.426 ' CE1' ' CE1' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -75.11 -46.65 33.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.401 -179.87 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.949 ' O ' HG23 ' A' ' 17' ' ' ILE . 12.6 m-70 -62.33 -27.73 69.25 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.753 0.311 . . . . 0.0 110.383 179.534 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.402 ' O ' HG13 ' A' ' 17' ' ' ILE . . . -68.72 -55.42 11.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.256 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -62.38 -19.15 63.11 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.215 178.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.553 ' O ' HD12 ' A' ' 20' ' ' LEU . 6.4 mm-40 -79.32 -37.83 36.66 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.949 HG23 ' O ' ' A' ' 13' ' ' HIS . 1.1 pp -73.54 -34.67 42.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 120.88 0.371 . . . . 0.0 111.076 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.415 ' N ' HG13 ' A' ' 17' ' ' ILE . 1.7 tt0 -76.77 -36.01 57.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.661 179.737 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 30.7 ttm180 -72.66 -32.57 65.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.631 179.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.707 ' O ' HG23 ' A' ' 24' ' ' ILE . 15.2 mt -70.74 -40.62 72.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.292 179.621 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.43 ' HA ' HG21 ' B' ' 24' ' ' ILE . 0.0 OUTLIER -62.51 -42.36 99.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.66 179.6 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.6 mtmt -63.66 -36.29 83.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.63 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -66.18 -39.38 89.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.026 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.707 HG23 ' O ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -62.11 -40.16 86.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.054 0.454 . . . . 0.0 110.073 179.81 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.413 ' N ' HG13 ' A' ' 24' ' ' ILE . 13.4 tt0 -61.26 -41.78 97.51 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.387 179.549 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -55.67 -43.9 76.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.037 179.41 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.916 ' HB3' HG22 ' B' ' 17' ' ' ILE . 0.2 OUTLIER -65.91 -30.22 70.78 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.56 179.061 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.461 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 1.8 tmmt? -67.75 -25.72 65.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.81 179.71 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -78.84 -38.31 38.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.709 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.9 p -72.56 -31.34 65.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.396 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.72 HG21 HG21 ' B' ' 17' ' ' ILE . 3.8 tp -82.4 -28.71 8.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.718 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -81.38 -26.42 35.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.62 179.719 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.2 ttpt -82.46 -37.33 25.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.591 179.721 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.788 HD22 HD12 ' B' ' 10' ' ' ILE . 0.4 OUTLIER -77.7 -27.93 50.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.698 179.725 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.76 -33.37 30.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.673 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -78.13 -27.63 48.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.749 179.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.6 t -77.49 -25.79 50.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.828 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -74.05 -28.8 61.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.826 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -73.75 -25.58 60.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -173.37 158.24 3.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.932 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.949 179.965 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.815 0.341 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.3 mp -63.58 -175.62 0.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.83 71.1 0.92 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.899 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -84.69 -39.34 18.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 16.8 p-80 -50.99 -32.31 20.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.78 -55.76 20.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -51.53 -24.66 5.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.845 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -71.59 -59.08 2.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.299 179.642 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.93 -21.95 23.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.323 179.078 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.788 HD12 HD22 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -70.76 -53.8 20.59 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.622 179.916 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 11' ' ' SER . . . . . 0.413 ' N ' HG22 ' B' ' 10' ' ' ILE . 0.4 OUTLIER -61.7 -24.58 66.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.976 -179.907 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.429 ' CE1' ' CE1' ' B' ' 13' ' ' HIS . 0.0 OUTLIER -75.23 -46.72 32.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.425 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 13' ' ' HIS . . . . . 0.925 ' O ' HG23 ' B' ' 17' ' ' ILE . 12.7 m-70 -62.28 -27.83 69.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.711 0.291 . . . . 0.0 110.302 179.575 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.4 ' O ' HG13 ' B' ' 17' ' ' ILE . . . -68.57 -55.58 11.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.236 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -62.35 -19.2 63.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.177 178.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.552 ' O ' HD12 ' B' ' 20' ' ' LEU . 6.4 mm-40 -79.27 -37.64 37.4 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.122 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.925 HG23 ' O ' ' B' ' 13' ' ' HIS . 1.1 pp -73.68 -34.72 42.05 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 CA-C-O 120.855 0.359 . . . . 0.0 110.984 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.414 ' N ' HG13 ' B' ' 17' ' ' ILE . 1.6 tt0 -76.7 -36.02 57.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.728 179.746 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 30.8 ttm180 -72.74 -32.56 65.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.587 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.71 ' O ' HG23 ' B' ' 24' ' ' ILE . 15.5 mt -70.79 -40.54 72.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.281 179.654 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 21' ' ' GLN . . . . . 0.418 ' HA ' HG21 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -62.63 -42.31 99.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.595 179.684 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 14.6 mtmt -63.52 -36.46 83.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.645 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -66.08 -39.45 90.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.002 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.71 HG23 ' O ' ' B' ' 20' ' ' LEU . 0.5 OUTLIER -62.25 -40.01 86.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.034 0.445 . . . . 0.0 110.101 179.86 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 25' ' ' GLU . . . . . 0.415 ' N ' HG13 ' B' ' 24' ' ' ILE . 13.5 tt0 -61.39 -41.56 97.32 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.409 179.497 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -55.92 -43.74 77.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.016 179.349 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 27' ' ' HIS . . . . . 0.901 ' HB3' HG22 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -66.18 -29.73 70.07 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.717 179.038 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.467 ' HA ' ' CG2' ' B' ' 31' ' ' ILE . 1.8 tmmt? -68.43 -25.5 65.05 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.699 179.628 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -78.93 -38.45 37.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.717 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 1.9 p -72.36 -31.72 65.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.245 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.693 HG22 ' O ' ' B' ' 27' ' ' HIS . 4.0 tp -81.95 -28.94 9.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.672 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -81.09 -26.42 36.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.597 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 7.1 ttpt -82.53 -37.06 25.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.633 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.762 HD22 HD12 ' A' ' 10' ' ' ILE . 0.4 OUTLIER -77.98 -27.7 49.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.649 179.748 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.87 -33.34 30.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.707 179.792 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -78.23 -27.74 47.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.653 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 8.6 t -77.36 -25.91 51.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -74.04 -28.82 61.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.832 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -73.64 -25.62 60.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.929 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -173.36 158.25 3.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.918 -179.959 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.74 0.305 . . . . 0.0 111.059 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -179.14 145.65 0.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.871 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 68.74 98.7 0.06 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 18.5 mttt -114.15 24.12 12.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.006 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -78.41 -38.85 40.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.671 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.434 ' C ' HD12 ' A' ' 10' ' ' ILE . 1.7 m-70 -61.29 -55.03 36.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.439 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.403 ' HA ' ' HB ' ' A' ' 10' ' ' ILE . 0.6 OUTLIER -52.48 -23.96 7.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.712 179.418 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -69.28 -61.14 1.91 Allowed 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.546 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.475 ' O ' ' CD2' ' A' ' 13' ' ' HIS . 4.9 mt-10 -69.83 -9.28 54.16 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.824 178.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.548 ' O ' ' HB2' ' A' ' 14' ' ' ALA . 74.4 mt -90.26 -27.37 5.11 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.045 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.8 p -80.18 -30.58 38.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.742 178.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.484 ' CE1' ' CE1' ' A' ' 13' ' ' HIS . 0.1 OUTLIER -77.8 -49.46 14.28 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.718 179.257 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.578 ' HB2' HD13 ' B' ' 31' ' ' ILE . 16.3 m-70 -66.33 -25.88 67.04 Favored 'General case' 0 CA--C 1.522 -0.117 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.016 178.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.548 ' HB2' ' O ' ' A' ' 10' ' ' ILE . . . -68.1 -47.56 67.87 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.236 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.424 ' O ' ' CB ' ' A' ' 19' ' ' ARG . 1.8 tttp -71.1 -17.44 62.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.684 179.129 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.615 ' O ' HD12 ' A' ' 20' ' ' LEU . 9.8 mm-40 -83.34 -34.34 25.68 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.387 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.677 ' O ' HD13 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -80.67 -31.18 12.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-O 120.946 0.403 . . . . 0.0 110.526 179.789 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -82.0 -36.41 27.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.304 179.316 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.424 ' CB ' ' O ' ' A' ' 15' ' ' LYS . 2.2 tpm_? -76.07 -31.79 58.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.333 179.463 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.796 ' HB3' HG22 ' B' ' 24' ' ' ILE . 18.8 mt -72.61 -39.89 66.94 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.995 179.4 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.402 ' O ' HG13 ' A' ' 24' ' ' ILE . 0.6 OUTLIER -62.84 -42.62 99.81 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.702 179.655 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.01 -38.23 90.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.747 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.31 -39.41 93.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.175 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.795 HG22 ' HB3' ' B' ' 20' ' ' LEU . 0.5 OUTLIER -63.87 -39.08 84.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.066 0.46 . . . . 0.0 110.24 179.935 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.408 ' N ' HG13 ' A' ' 24' ' ' ILE . 3.5 mt-10 -59.94 -43.97 94.64 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.504 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -56.04 -49.99 72.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.981 0.419 . . . . 0.0 110.262 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.61 ' O ' HG22 ' A' ' 31' ' ' ILE . 0.1 OUTLIER -65.16 -23.7 67.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.624 179.469 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.463 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 0.7 OUTLIER -77.98 -25.38 48.05 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.94 179.904 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -77.9 -39.52 42.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.615 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.6 p -71.04 -37.86 72.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.907 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.61 HG22 ' O ' ' A' ' 27' ' ' HIS . 5.2 tp -75.6 -28.34 19.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.999 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.2 ttpt -76.44 -28.76 56.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.72 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.15 -36.88 47.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.685 179.792 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.7 mt -73.31 -31.32 63.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.8 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.79 -37.15 59.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.83 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.7 tm0? -72.54 -29.6 63.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.803 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.55 -28.98 63.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.859 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -70.11 -25.5 63.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -114.73 25.36 11.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.929 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -106.74 -64.84 1.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.296 -0.859 . . . . 0.0 110.895 179.977 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.904 0.383 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -179.13 145.63 0.27 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 68.73 98.65 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 18.5 mttt -114.09 24.19 12.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.047 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -78.48 -38.78 40.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.763 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' HIS . . . . . 0.447 ' C ' HD12 ' B' ' 10' ' ' ILE . 1.7 m-70 -61.21 -55.09 36.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.496 179.75 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.407 ' HA ' ' HB ' ' B' ' 10' ' ' ILE . 0.6 OUTLIER -52.41 -24.14 7.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.627 179.426 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -69.1 -61.23 1.88 Allowed 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.927 0.394 . . . . 0.0 110.585 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.472 ' O ' ' CD2' ' B' ' 13' ' ' HIS . 4.9 mt-10 -69.77 -9.37 54.31 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.812 178.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.529 ' O ' ' HB2' ' B' ' 14' ' ' ALA . 73.9 mt -90.29 -27.37 5.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 CA-C-N 116.213 -0.449 . . . . 0.0 109.977 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 11.0 p -80.15 -30.63 38.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.7 178.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.494 ' CE1' ' CE1' ' B' ' 13' ' ' HIS . 0.1 OUTLIER -77.77 -49.37 14.5 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.739 179.265 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 13' ' ' HIS . . . . . 0.565 ' HB2' HD13 ' A' ' 31' ' ' ILE . 16.4 m-70 -66.48 -25.72 66.85 Favored 'General case' 0 N--CA 1.457 -0.089 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.02 178.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.529 ' HB2' ' O ' ' B' ' 10' ' ' ILE . . . -68.14 -47.63 67.57 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 120.987 0.422 . . . . 0.0 110.265 179.77 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 15' ' ' LYS . . . . . 0.424 ' O ' ' CB ' ' B' ' 19' ' ' ARG . 1.8 tttp -71.09 -17.4 62.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.687 179.117 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.617 ' O ' HD12 ' B' ' 20' ' ' LEU . 9.8 mm-40 -83.35 -34.32 25.66 Favored 'General case' 0 CA--C 1.527 0.089 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.464 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.675 HD13 ' O ' ' B' ' 17' ' ' ILE . 0.0 OUTLIER -80.62 -31.15 12.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.912 0.387 . . . . 0.0 110.581 179.675 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -82.04 -36.36 27.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.3 179.319 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' ARG . . . . . 0.424 ' CB ' ' O ' ' B' ' 15' ' ' LYS . 2.2 tpm_? -76.21 -31.69 58.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.304 179.51 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.795 ' HB3' HG22 ' A' ' 24' ' ' ILE . 18.9 mt -72.61 -39.84 66.96 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.052 179.315 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 21' ' ' GLN . . . . . 0.406 ' O ' HG13 ' B' ' 24' ' ' ILE . 0.6 OUTLIER -62.85 -42.72 99.86 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.623 179.626 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.04 -38.15 90.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.677 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.33 -39.36 93.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.125 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.796 HG22 ' HB3' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -64.04 -39.0 83.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.976 0.417 . . . . 0.0 110.195 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 25' ' ' GLU . . . . . 0.412 ' N ' HG13 ' B' ' 24' ' ' ILE . 3.5 mt-10 -59.91 -43.9 94.58 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.617 179.759 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 26.6 ttm180 -56.11 -49.96 72.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.311 179.535 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 27' ' ' HIS . . . . . 0.607 ' O ' HG22 ' B' ' 31' ' ' ILE . 0.1 OUTLIER -65.06 -23.76 67.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.626 179.382 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.467 ' HA ' ' CG2' ' B' ' 31' ' ' ILE . 0.7 OUTLIER -78.02 -25.39 47.88 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -77.8 -39.73 42.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.586 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 11.7 p -70.83 -37.89 73.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.945 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.607 HG22 ' O ' ' B' ' 27' ' ' HIS . 5.1 tp -75.68 -28.25 19.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.948 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 3.2 ttpt -76.54 -28.73 56.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.626 179.718 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.21 -36.76 46.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.688 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.7 mt -73.35 -31.37 63.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.806 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.67 -37.19 59.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 6.7 tm0? -72.6 -29.43 63.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.809 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.62 -28.98 63.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -70.1 -25.54 63.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -114.72 25.43 10.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.91 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -106.82 -64.79 1.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.895 179.976 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.466 ' O ' HD23 ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.92 0.391 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.466 HD23 ' O ' ' A' ' 1' ' ' ALA . 0.3 OUTLIER 173.65 114.85 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.813 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.41 ' HE3' ' N ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -119.29 158.82 25.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.951 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.0 mmmt -96.85 -51.41 4.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.969 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -51.22 -40.92 59.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.609 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.769 ' C ' HD12 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -62.71 -55.42 26.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.403 179.702 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.453 ' N ' HD12 ' A' ' 10' ' ' ILE . 1.3 tt0 -53.07 -23.38 7.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.572 -0.286 . . . . 0.0 110.587 179.308 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -69.28 -61.43 1.79 Allowed 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.553 179.756 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.477 ' O ' ' CD2' ' A' ' 13' ' ' HIS . 39.9 mt-10 -68.99 -10.72 58.91 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 120.9 0.381 . . . . 0.0 110.765 178.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.769 HD12 ' C ' ' A' ' 6' ' ' HIS . 51.5 mt -87.98 -28.91 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.13 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.1 -30.26 43.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.811 179.008 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.53 ' CD2' ' ND1' ' A' ' 13' ' ' HIS . 0.3 OUTLIER -76.08 -48.39 20.97 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.824 179.332 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.53 ' ND1' ' CD2' ' A' ' 12' ' ' HIS . 17.5 m-70 -65.56 -27.7 68.62 Favored 'General case' 0 CA--C 1.522 -0.134 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 178.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.442 ' N ' HG13 ' B' ' 31' ' ' ILE . . . -65.22 -47.98 74.93 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.135 179.525 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -64.49 -25.08 67.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.201 179.119 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.569 ' HB3' ' CD2' ' B' ' 27' ' ' HIS . 0.1 OUTLIER -75.22 -36.04 61.4 Favored 'General case' 0 C--N 1.334 -0.095 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.101 179.878 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.583 HD12 ' CB ' ' B' ' 28' ' ' LYS . 2.4 tt -78.17 -24.78 13.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.748 0.309 . . . . 0.0 110.709 179.782 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -81.46 -35.61 30.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.956 0.407 . . . . 0.0 110.544 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 24.1 ttt-85 -74.11 -39.75 63.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.214 179.477 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.7 HD12 HG22 ' B' ' 24' ' ' ILE . 0.0 OUTLIER -67.41 -39.77 85.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.12 179.474 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.404 ' O ' HG13 ' A' ' 24' ' ' ILE . 11.5 tt0 -63.93 -37.34 87.04 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.603 179.651 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.43 -44.75 96.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.582 179.77 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -58.52 -45.88 87.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.973 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.686 HG22 HD12 ' B' ' 20' ' ' LEU . 0.6 OUTLIER -60.99 -35.45 65.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.092 0.472 . . . . 0.0 110.056 179.831 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.409 ' N ' HG13 ' A' ' 24' ' ' ILE . 1.5 tt0 -58.97 -43.06 91.27 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.452 179.638 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.3 ttt85 -58.45 -50.57 73.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.132 179.455 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.564 ' CD2' ' HB3' ' B' ' 16' ' ' GLU . 0.2 OUTLIER -62.23 -23.75 66.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.504 179.257 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.576 ' CB ' HD12 ' B' ' 17' ' ' ILE . 11.8 ttpt -78.75 -27.9 44.8 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.783 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.401 ' HG2' ' NZ ' ' A' ' 33' ' ' LYS . 0.6 OUTLIER -73.61 -38.2 65.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.631 179.889 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 59.7 p -71.31 -43.57 66.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.878 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.485 HG22 ' HA ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -74.55 -24.16 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.315 -179.828 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.447 ' NZ ' ' HE3' ' A' ' 28' ' ' LYS . 23.5 ttmt -82.36 -26.18 33.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.426 179.446 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.401 ' NZ ' ' HG2' ' A' ' 29' ' ' GLN . 0.0 OUTLIER -75.49 -41.4 55.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.443 179.621 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.451 ' HB3' ' CG1' ' B' ' 10' ' ' ILE . 17.1 mt -73.22 -36.94 66.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.76 179.771 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -76.48 -26.4 55.31 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.793 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.416 ' O ' ' N ' ' A' ' 40' ' ' ASP . 5.8 mm-40 -77.69 -30.93 52.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.687 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 73.6 m -69.48 -30.53 68.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.746 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.96 -33.95 76.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.784 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -147.12 52.38 1.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.895 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' A' ' 36' ' ' GLN . 13.5 t0 -49.99 140.1 12.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.3 t70 . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.317 -0.849 . . . . 0.0 110.884 179.987 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' ALA . . . . . 0.466 ' O ' HD23 ' B' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 120.845 0.355 . . . . 0.0 111.061 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 2' ' ' LEU . . . . . 0.466 HD23 ' O ' ' B' ' 1' ' ' ALA . 0.3 OUTLIER 173.78 115.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.782 179.901 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 3' ' ' LYS . . . . . 0.418 ' HE3' ' N ' ' B' ' 2' ' ' LEU . 0.0 OUTLIER -119.34 158.87 25.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 5.0 mmmt -96.89 -51.46 4.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -51.22 -40.91 59.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.623 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' HIS . . . . . 0.765 ' C ' HD12 ' B' ' 10' ' ' ILE . 0.0 OUTLIER -62.7 -55.36 27.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.399 179.717 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.461 ' N ' HD12 ' B' ' 10' ' ' ILE . 1.4 tt0 -53.08 -23.39 7.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.608 179.296 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -69.28 -61.43 1.79 Allowed 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.607 179.745 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.471 ' O ' ' CD2' ' B' ' 13' ' ' HIS . 40.1 mt-10 -69.04 -10.68 58.76 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 120.931 0.396 . . . . 0.0 110.736 178.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.765 HD12 ' C ' ' B' ' 6' ' ' HIS . 51.5 mt -88.03 -28.95 5.43 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.085 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.08 -30.21 43.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.819 179.011 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.529 ' CD2' ' CE1' ' B' ' 13' ' ' HIS . 0.3 OUTLIER -76.06 -48.4 20.99 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.725 -0.671 . . . . 0.0 109.814 179.365 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 13' ' ' HIS . . . . . 0.529 ' CE1' ' CD2' ' B' ' 12' ' ' HIS . 17.3 m-70 -65.47 -27.97 68.88 Favored 'General case' 0 CA--C 1.521 -0.15 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 178.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.445 ' N ' HG13 ' A' ' 31' ' ' ILE . . . -64.91 -48.22 74.94 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.161 179.51 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -64.32 -25.1 67.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.303 179.11 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.564 ' HB3' ' CD2' ' A' ' 27' ' ' HIS . 0.1 OUTLIER -75.24 -36.04 61.35 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.15 179.826 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.576 HD12 ' CB ' ' A' ' 28' ' ' LYS . 2.4 tt -78.25 -24.82 13.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.759 0.314 . . . . 0.0 110.652 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -81.31 -35.74 30.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.481 179.617 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 24.5 ttt-85 -74.06 -39.72 63.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.206 179.524 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.686 HD12 HG22 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -67.42 -39.56 85.47 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.25 179.465 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -64.12 -37.3 86.97 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.509 179.559 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.36 -44.8 96.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.633 179.723 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -58.63 -45.96 88.1 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.974 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.7 HG22 HD12 ' A' ' 20' ' ' LEU . 0.6 OUTLIER -60.71 -35.79 66.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.072 0.463 . . . . 0.0 110.055 179.872 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 25' ' ' GLU . . . . . 0.415 ' N ' HG13 ' B' ' 24' ' ' ILE . 1.5 tt0 -58.62 -43.55 89.69 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.4 179.67 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 6.3 ttt85 -57.8 -50.54 72.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.084 179.451 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 27' ' ' HIS . . . . . 0.569 ' CD2' ' HB3' ' A' ' 16' ' ' GLU . 0.2 OUTLIER -62.52 -23.52 67.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.472 179.366 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.583 ' CB ' HD12 ' A' ' 17' ' ' ILE . 11.7 ttpt -78.89 -27.32 43.91 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 29' ' ' GLN . . . . . 0.404 ' HG2' ' NZ ' ' B' ' 33' ' ' LYS . 0.7 OUTLIER -74.33 -38.12 63.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.557 179.894 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 59.8 p -71.43 -43.58 66.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.881 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.481 HG22 ' HA ' ' B' ' 28' ' ' LYS . 0.0 OUTLIER -74.87 -24.21 17.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.198 -179.927 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 14.7 ttpt -81.73 -26.89 34.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.313 179.43 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.404 ' NZ ' ' HG2' ' B' ' 29' ' ' GLN . 0.0 OUTLIER -75.31 -41.68 56.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.689 179.67 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.441 ' HB3' ' CG1' ' A' ' 10' ' ' ILE . 17.1 mt -72.81 -36.85 67.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.729 179.771 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -76.4 -26.76 55.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.805 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' GLN . . . . . 0.411 ' O ' ' N ' ' B' ' 40' ' ' ASP . 5.8 mm-40 -77.47 -30.71 53.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.662 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 73.6 m -69.67 -30.35 68.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.781 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.18 -33.75 76.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.77 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -147.25 52.15 1.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 40' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' B' ' 36' ' ' GLN . 13.5 t0 -49.83 139.95 12.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.96 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 1.3 t70 . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.939 179.992 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.836 0.35 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.421 ' CD2' ' OE2' ' B' ' 38' ' ' GLU . 0.5 OUTLIER -146.67 125.44 12.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.935 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.408 ' CD ' ' N ' ' A' ' 3' ' ' LYS . 0.7 OUTLIER -75.05 160.43 30.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.0 mtpt -114.1 -47.94 2.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -50.56 -32.25 18.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.939 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.776 ' CE1' HD23 ' B' ' 34' ' ' LEU . 0.1 OUTLIER -62.34 -57.15 12.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.429 179.834 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.408 ' HA ' ' HB ' ' A' ' 10' ' ' ILE . 6.8 mt-10 -51.09 -24.69 4.19 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.696 179.476 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.43 -60.98 2.04 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.538 179.758 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.463 ' O ' ' CD2' ' A' ' 13' ' ' HIS . 38.4 mt-10 -69.49 -9.67 54.79 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.809 179.034 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.494 ' O ' ' HB2' ' A' ' 14' ' ' ALA . 74.7 mt -89.9 -27.33 5.18 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 CA-C-N 116.222 -0.444 . . . . 0.0 109.993 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 17.8 m -79.97 -30.81 39.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.081 -0.508 . . . . 0.0 109.702 178.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.489 ' CE1' ' CE1' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -77.24 -49.66 14.6 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.725 -0.671 . . . . 0.0 109.718 179.241 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.589 ' HB2' HD13 ' B' ' 31' ' ' ILE . 15.9 m-70 -65.29 -26.74 68.2 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.046 178.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.494 ' HB2' ' O ' ' A' ' 10' ' ' ILE . . . -67.27 -48.19 68.44 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.187 179.772 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.415 ' O ' ' CG ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -68.95 -18.41 64.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.538 179.094 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.566 ' O ' HD12 ' A' ' 20' ' ' LEU . 21.0 mm-40 -80.44 -38.61 29.75 Favored 'General case' 0 C--O 1.231 0.084 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.499 -179.825 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.73 ' O ' HD13 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -78.14 -29.71 15.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.919 0.39 . . . . 0.0 110.763 179.871 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -81.08 -35.26 31.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.529 179.413 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.415 ' CG ' ' O ' ' A' ' 15' ' ' LYS . 71.5 mtp180 -74.55 -34.57 62.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.509 179.583 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.817 ' HB3' HG22 ' B' ' 24' ' ' ILE . 23.0 mt -71.03 -40.55 71.66 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.083 179.457 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.401 ' O ' HG13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -61.94 -40.6 96.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.758 179.729 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -42.72 99.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.725 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.66 -39.98 93.29 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.092 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.829 HG22 ' HB3' ' B' ' 20' ' ' LEU . 0.6 OUTLIER -63.63 -36.56 76.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.982 0.42 . . . . 0.0 110.077 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.41 ' N ' HG13 ' A' ' 24' ' ' ILE . 54.0 tt0 -60.88 -44.13 97.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.477 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 31.4 ttt-85 -56.42 -50.69 70.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.202 179.502 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.675 ' O ' HG22 ' A' ' 31' ' ' ILE . 0.2 OUTLIER -63.8 -24.32 67.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.487 179.359 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.46 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 6.3 ttmt -78.36 -24.69 46.31 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -76.83 -39.99 49.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.506 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.2 m -70.35 -40.93 73.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.737 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.675 HG22 ' O ' ' A' ' 27' ' ' HIS . 4.1 tp -75.92 -27.67 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.983 0.42 . . . . 0.0 110.885 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.4 ttmm -79.12 -26.26 42.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.715 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.9 ttpp -78.73 -38.71 38.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.673 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.781 HD23 ' CE1' ' B' ' 6' ' ' HIS . 0.2 OUTLIER -74.01 -32.92 63.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.759 179.914 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -76.85 -32.44 57.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.796 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -75.23 -30.02 60.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.819 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 69.8 m -72.72 -26.35 61.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.81 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.414 ' OE2' ' CD2' ' B' ' 2' ' ' LEU . 0.0 OUTLIER -70.94 -27.81 64.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.47 -41.82 54.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.916 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -166.13 143.41 5.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.834 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.156 -0.926 . . . . 0.0 110.879 -179.998 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.81 0.338 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' LEU . . . . . 0.414 ' CD2' ' OE2' ' A' ' 38' ' ' GLU . 0.5 OUTLIER -146.68 125.56 12.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.853 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 3' ' ' LYS . . . . . 0.405 ' N ' ' CD ' ' B' ' 3' ' ' LYS . 0.7 OUTLIER -75.07 160.42 30.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 179.935 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 11.9 mtpt -114.12 -47.91 2.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.866 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -50.59 -32.3 18.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.929 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 6' ' ' HIS . . . . . 0.781 ' CE1' HD23 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -62.24 -57.15 12.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.474 179.792 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -51.15 -24.61 4.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.735 179.478 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.51 -60.98 2.04 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.525 179.704 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.478 ' O ' ' CD2' ' B' ' 13' ' ' HIS . 38.4 mt-10 -69.4 -9.74 54.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.812 179.024 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.495 ' O ' ' HB2' ' B' ' 14' ' ' ALA . 74.6 mt -89.91 -27.34 5.18 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.995 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 17.8 m -79.94 -30.75 39.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.732 178.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.488 ' CE1' ' CE1' ' B' ' 13' ' ' HIS . 0.0 OUTLIER -77.26 -49.68 14.53 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.699 179.272 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 13' ' ' HIS . . . . . 0.592 ' HB2' HD13 ' A' ' 31' ' ' ILE . 15.9 m-70 -65.29 -26.79 68.22 Favored 'General case' 0 N--CA 1.457 -0.109 0 C-N-CA 120.714 -0.394 . . . . 0.0 109.998 178.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.495 ' HB2' ' O ' ' B' ' 10' ' ' ILE . . . -67.18 -48.22 68.6 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.058 0.456 . . . . 0.0 110.254 179.768 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 15' ' ' LYS . . . . . 0.424 ' O ' ' CG ' ' B' ' 19' ' ' ARG . 0.0 OUTLIER -68.94 -18.38 64.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.577 179.066 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.578 ' O ' HD12 ' B' ' 20' ' ' LEU . 20.9 mm-40 -80.51 -38.63 29.42 Favored 'General case' 0 N--CA 1.458 -0.068 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.505 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.735 HD13 ' O ' ' B' ' 17' ' ' ILE . 0.0 OUTLIER -78.17 -29.58 15.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.758 0.313 . . . . 0.0 110.7 179.856 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -81.09 -35.34 31.82 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.508 179.402 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 19' ' ' ARG . . . . . 0.424 ' CG ' ' O ' ' B' ' 15' ' ' LYS . 71.5 mtp180 -74.55 -34.55 62.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.475 179.633 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.829 ' HB3' HG22 ' A' ' 24' ' ' ILE . 23.0 mt -71.06 -40.5 71.62 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.157 179.412 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 21' ' ' GLN . . . . . 0.407 ' O ' HG13 ' B' ' 24' ' ' ILE . 0.0 OUTLIER -61.98 -40.65 96.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.713 179.707 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -42.74 99.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.697 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.56 -39.97 93.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.118 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.817 HG22 ' HB3' ' A' ' 20' ' ' LEU . 0.6 OUTLIER -63.73 -36.48 76.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.023 0.44 . . . . 0.0 110.135 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 25' ' ' GLU . . . . . 0.418 ' N ' HG13 ' B' ' 24' ' ' ILE . 53.9 tt0 -60.9 -44.09 97.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.525 179.729 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 31.2 ttt-85 -56.44 -50.7 70.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.169 179.488 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 27' ' ' HIS . . . . . 0.693 ' O ' HG22 ' B' ' 31' ' ' ILE . 0.2 OUTLIER -63.89 -24.21 67.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.443 179.419 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.461 ' HA ' ' CG2' ' B' ' 31' ' ' ILE . 6.3 ttmt -78.38 -24.68 46.25 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -76.88 -39.99 49.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.48 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 2.2 m -70.35 -40.9 73.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.738 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.693 HG22 ' O ' ' B' ' 27' ' ' HIS . 4.1 tp -76.0 -27.63 18.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.839 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 2.4 ttmm -79.13 -26.27 42.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.661 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 9.9 ttpp -78.73 -38.71 38.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.731 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.776 HD23 ' CE1' ' A' ' 6' ' ' HIS . 0.2 OUTLIER -73.95 -32.92 63.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.823 179.847 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -76.87 -32.41 57.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.856 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -75.15 -30.11 60.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 70.0 m -72.68 -26.4 61.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.81 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 38' ' ' GLU . . . . . 0.421 ' OE2' ' CD2' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -70.94 -27.77 64.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.828 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.51 -41.8 54.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.935 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -166.17 143.36 5.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.205 -0.902 . . . . 0.0 110.904 179.996 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.42 0 CA-C-O 120.816 0.341 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.608 ' O ' HD23 ' A' ' 2' ' ' LEU . 7.8 tt -63.64 -25.45 68.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.956 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.415 ' HD2' ' NE2' ' A' ' 5' ' ' HIS . 36.1 mmtt -89.71 47.4 1.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.943 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.55 -35.34 77.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.825 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.415 ' NE2' ' HD2' ' A' ' 3' ' ' LYS . 2.5 p-80 -53.87 -25.09 18.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -59.49 -46.49 88.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -58.61 -25.85 63.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.722 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -73.28 -57.6 3.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.181 179.517 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.52 -20.87 34.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.336 179.008 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.775 HD11 ' O ' ' B' ' 34' ' ' LEU . 0.0 OUTLIER -73.21 -54.77 14.71 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.478 179.929 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.432 ' N ' HG22 ' A' ' 10' ' ' ILE . 0.5 OUTLIER -62.16 -25.75 67.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.687 179.924 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -73.03 -48.3 37.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.328 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.91 ' O ' HG23 ' A' ' 17' ' ' ILE . 12.6 m-70 -59.79 -30.86 69.18 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.231 179.53 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.63 -55.71 18.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.444 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.407 ' O ' ' CB ' ' A' ' 19' ' ' ARG . 0.8 OUTLIER -63.93 -15.49 59.26 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.423 178.964 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.55 ' O ' HD12 ' A' ' 20' ' ' LEU . 5.1 mm-40 -84.05 -33.23 24.49 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.978 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.91 HG23 ' O ' ' A' ' 13' ' ' HIS . 1.0 OUTLIER -76.7 -37.37 28.66 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 CA-C-O 120.954 0.407 . . . . 0.0 110.429 179.821 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -77.81 -38.78 45.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.447 179.371 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.407 ' CB ' ' O ' ' A' ' 15' ' ' LYS . 7.1 ttt180 -73.43 -27.39 61.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.34 179.529 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.717 ' HB3' HG22 ' B' ' 24' ' ' ILE . 9.5 mt -71.44 -42.9 67.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.024 179.333 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.422 ' HA ' HG21 ' B' ' 24' ' ' ILE . 11.1 tt0 -61.1 -46.85 88.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.785 179.72 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.4 ttpp -62.4 -33.24 74.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.679 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -68.46 -36.49 79.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.96 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.714 HG23 ' O ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -65.14 -41.12 90.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.003 0.43 . . . . 0.0 110.15 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.407 ' N ' HG13 ' A' ' 24' ' ' ILE . 15.2 tt0 -61.1 -42.02 97.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.325 179.607 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.1 tpt85 -58.52 -39.76 81.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.263 179.515 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.784 ' HB3' HG22 ' B' ' 17' ' ' ILE . 0.1 OUTLIER -67.97 -27.75 66.85 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.94 179.352 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.475 ' HA ' HG22 ' A' ' 31' ' ' ILE . 1.2 ttmt -72.0 -32.59 67.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.689 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -69.69 -41.88 74.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.673 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.3 t -67.98 -42.34 80.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.106 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.772 HG21 HG21 ' B' ' 17' ' ' ILE . 5.6 tp -71.57 -24.83 23.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.169 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -78.59 -35.54 45.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.925 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.0 tttp -79.86 -27.38 40.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.729 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.812 ' O ' HD11 ' B' ' 10' ' ' ILE . 0.5 OUTLIER -81.49 -28.89 33.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.667 179.892 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.551 ' HE2' HG23 ' B' ' 10' ' ' ILE . 7.4 mmtp -80.17 -34.84 37.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.686 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.1 tm0? -78.17 -31.45 49.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.685 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.9 m -77.32 -27.57 52.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.772 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.29 -25.73 58.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.78 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -72.72 -25.97 61.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.865 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 70.31 136.86 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 31.8 t0 . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.856 179.997 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.799 0.333 . . . . 0.0 111.079 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' LEU . . . . . 0.62 ' O ' HD23 ' B' ' 2' ' ' LEU . 7.8 tt -63.72 -25.4 68.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 3' ' ' LYS . . . . . 0.408 ' HD2' ' NE2' ' B' ' 5' ' ' HIS . 36.1 mmtt -89.83 47.34 1.45 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.952 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.48 -35.44 77.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.85 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 5' ' ' HIS . . . . . 0.408 ' NE2' ' HD2' ' B' ' 3' ' ' LYS . 2.5 p-80 -53.8 -24.93 16.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.883 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -59.64 -46.29 89.44 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -58.78 -25.79 63.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.689 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -73.43 -57.7 3.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.168 179.578 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.2 -21.14 31.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.343 178.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.812 HD11 ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -72.88 -55.58 12.42 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.48 179.874 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 11' ' ' SER . . . . . 0.446 ' N ' HG22 ' B' ' 10' ' ' ILE . 0.5 OUTLIER -61.33 -25.57 67.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.665 179.937 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -73.28 -48.24 36.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.314 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 13' ' ' HIS . . . . . 0.924 ' O ' HG23 ' B' ' 17' ' ' ILE . 13.2 m-70 -59.98 -30.27 69.01 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.268 179.556 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.24 -55.91 15.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.369 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.59 -15.85 59.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.389 179.02 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.534 ' O ' HD12 ' B' ' 20' ' ' LEU . 5.1 mm-40 -83.58 -33.69 25.34 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.962 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.924 HG23 ' O ' ' B' ' 13' ' ' HIS . 1.0 OUTLIER -76.07 -37.6 33.56 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 CA-C-O 120.948 0.404 . . . . 0.0 110.524 179.748 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -77.28 -38.89 49.87 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.446 179.468 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 -73.49 -27.07 61.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.364 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.75 ' O ' HG23 ' B' ' 24' ' ' ILE . 9.9 mt -72.27 -41.61 66.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.242 179.409 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 21' ' ' GLN . . . . . 0.426 ' HA ' HG21 ' A' ' 24' ' ' ILE . 11.3 tt0 -62.65 -46.16 89.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.549 179.628 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 1.4 ttpp -63.16 -33.34 75.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.0 0.429 . . . . 0.0 110.704 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -68.23 -36.94 80.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.99 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.75 HG23 ' O ' ' B' ' 20' ' ' LEU . 0.5 OUTLIER -64.81 -41.18 91.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.978 0.418 . . . . 0.0 110.199 179.881 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 25' ' ' GLU . . . . . 0.408 ' N ' HG13 ' B' ' 24' ' ' ILE . 15.2 tt0 -60.9 -41.82 96.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.332 179.585 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 5.2 tpt85 -58.99 -39.3 81.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.229 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 27' ' ' HIS . . . . . 0.765 ' HB3' HG22 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -68.48 -26.97 65.74 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.056 179.356 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.477 ' HA ' HG22 ' B' ' 31' ' ' ILE . 1.3 ttmt -73.17 -32.27 64.75 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.578 179.644 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -69.82 -42.0 74.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.728 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 12.4 t -67.97 -42.54 80.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.984 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.771 HG21 HG21 ' A' ' 17' ' ' ILE . 5.8 tp -71.2 -24.85 24.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.165 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -78.61 -35.57 45.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 5.1 tttp -79.62 -27.49 40.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.695 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.775 ' O ' HD11 ' A' ' 10' ' ' ILE . 0.5 OUTLIER -81.21 -29.13 34.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.69 179.863 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 35' ' ' LYS . . . . . 0.537 ' HE2' HG23 ' A' ' 10' ' ' ILE . 7.4 mmtp -80.06 -34.66 37.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.693 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 7.1 tm0? -78.5 -31.08 47.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.698 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 2.9 m -77.72 -27.53 50.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.754 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.36 -25.56 57.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.808 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -72.81 -26.01 61.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.87 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 70.16 136.98 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 32.2 t0 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.184 -0.912 . . . . 0.0 110.881 -179.993 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.785 0.326 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.408 ' O ' ' N ' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -90.18 -88.27 0.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.364 -179.661 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.4 tptt -43.23 93.99 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.795 0.331 . . . . 0.0 111.54 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -100.79 19.67 16.71 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.327 179.934 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -100.55 -32.33 10.83 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.912 0.387 . . . . 0.0 110.459 179.737 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -73.75 -39.04 64.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.963 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.4 ' O ' HG12 ' A' ' 10' ' ' ILE . 2.0 mt-10 -68.69 -32.89 73.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.779 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -68.83 -43.75 74.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.331 179.511 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -60.97 -46.35 91.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.732 179.715 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.508 ' O ' HD13 ' B' ' 31' ' ' ILE . 19.3 pt -68.15 -27.06 35.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.239 179.419 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.3 -43.18 92.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.243 0.544 . . . . 0.0 109.565 178.666 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -68.31 -39.26 82.09 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.58 179.091 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.498 ' CD2' ' HA ' ' A' ' 10' ' ' ILE . 12.1 m-70 -61.89 -26.0 67.9 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.442 179.284 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.4 ' N ' HD13 ' B' ' 31' ' ' ILE . . . -71.0 -54.19 12.11 Favored 'General case' 0 CA--C 1.517 -0.304 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 179.661 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.3 mtpp -69.45 -10.84 59.77 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.427 178.533 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.804 ' O ' HD23 ' A' ' 20' ' ' LEU . 13.9 mm-40 -85.88 -37.74 18.81 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 116.576 -0.283 . . . . 0.0 111.115 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.594 HD12 ' CB ' ' B' ' 28' ' ' LYS . 3.4 tt -74.95 -33.08 28.68 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-O 120.925 0.393 . . . . 0.0 110.253 179.532 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -77.18 -40.89 43.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.653 179.557 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.415 ' NH1' ' OE1' ' A' ' 23' ' ' GLU . 16.1 ttp85 -73.65 -25.83 60.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.691 179.666 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.804 HD23 ' O ' ' A' ' 16' ' ' GLU . 2.0 mm? -74.29 -39.43 62.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.143 179.485 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.497 ' HG3' HD13 ' B' ' 24' ' ' ILE . 5.7 mt-30 -63.47 -47.45 81.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.358 179.509 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.61 -30.91 71.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.523 179.672 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.415 ' OE1' ' NH1' ' A' ' 19' ' ' ARG . 0.2 OUTLIER -68.2 -37.37 80.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.911 179.838 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.772 HG22 ' HB3' ' B' ' 20' ' ' LEU . 0.5 OUTLIER -65.38 -41.79 92.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.044 0.45 . . . . 0.0 109.924 179.783 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.413 ' N ' HG13 ' A' ' 24' ' ' ILE . 0.6 OUTLIER -58.34 -44.03 88.52 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.622 179.665 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.51 -50.2 70.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.014 0.435 . . . . 0.0 110.174 179.543 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.774 ' O ' HG22 ' A' ' 31' ' ' ILE . 45.8 m-70 -62.99 -25.4 68.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.363 179.337 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.597 ' CB ' HD12 ' B' ' 17' ' ' ILE . 15.2 ttpt -74.25 -27.74 60.9 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.97 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -76.92 -35.99 56.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.619 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.466 ' O ' HD12 ' A' ' 34' ' ' LEU . 14.7 t -72.89 -40.61 65.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.901 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.774 HG22 ' O ' ' A' ' 27' ' ' HIS . 3.4 tp -74.89 -31.28 25.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.176 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.42 -23.61 34.77 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.943 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 43.8 tttt -84.34 -31.75 24.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.398 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.486 HD13 HG22 ' B' ' 10' ' ' ILE . 9.6 mt -86.78 -27.13 23.78 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 120.949 0.404 . . . . 0.0 110.341 179.689 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.421 ' O ' ' CE ' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -83.76 -29.15 27.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.393 179.417 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -86.09 -30.28 22.7 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.501 179.662 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 32.5 m -86.02 -25.17 26.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.714 179.738 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.41 ' CB ' ' O ' ' A' ' 34' ' ' LEU . 3.5 tm-20 -87.9 -24.43 23.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.694 179.783 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -88.49 -25.48 22.55 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.789 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -142.16 52.87 1.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.7 t0 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.324 -0.846 . . . . 0.0 110.912 179.98 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.81 0.338 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.81 -173.42 4.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.345 179.7 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 43.18 77.04 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.873 0.368 . . . . 0.0 111.46 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.6 23.19 5.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.992 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -101.79 -32.04 10.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.574 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -74.12 -39.95 62.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.951 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.405 ' O ' HG12 ' B' ' 10' ' ' ILE . 1.8 mt-10 -68.32 -32.81 73.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.765 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -68.87 -43.78 74.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.35 179.538 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -61.02 -46.15 91.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.735 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.497 ' O ' HD13 ' A' ' 31' ' ' ILE . 19.9 pt -68.29 -27.17 35.92 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.192 179.435 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.3 -43.09 92.63 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 178.692 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -68.27 -39.36 82.19 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.518 179.099 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 13' ' ' HIS . . . . . 0.49 ' CD2' ' HA ' ' B' ' 10' ' ' ILE . 12.1 m-70 -61.88 -25.97 67.87 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.463 179.328 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.94 -54.12 12.49 Favored 'General case' 0 CA--C 1.517 -0.292 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 179.659 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' LYS . . . . . 0.401 ' O ' ' HB2' ' B' ' 19' ' ' ARG . 3.3 mtpp -69.63 -10.86 59.91 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.324 178.573 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.799 ' O ' HD23 ' B' ' 20' ' ' LEU . 14.1 mm-40 -85.93 -37.6 18.9 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.167 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.597 HD12 ' CB ' ' A' ' 28' ' ' LYS . 3.5 tt -75.03 -33.13 28.38 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 CA-C-O 120.811 0.338 . . . . 0.0 110.211 179.516 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -77.14 -40.79 44.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.617 179.53 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 19' ' ' ARG . . . . . 0.417 ' NH1' ' OE1' ' B' ' 23' ' ' GLU . 16.5 ttp85 -73.82 -25.71 60.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.658 179.758 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.799 HD23 ' O ' ' B' ' 16' ' ' GLU . 1.9 mm? -74.37 -39.38 62.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.139 179.454 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 21' ' ' GLN . . . . . 0.499 ' HG3' HD13 ' A' ' 24' ' ' ILE . 5.6 mt-30 -63.5 -47.45 81.68 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.387 179.42 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.59 -30.9 71.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.496 179.673 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 23' ' ' GLU . . . . . 0.417 ' OE1' ' NH1' ' B' ' 19' ' ' ARG . 0.2 OUTLIER -68.29 -37.28 80.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.855 179.914 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.768 HG22 ' HB3' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -65.39 -41.82 92.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.014 0.435 . . . . 0.0 109.964 179.72 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 25' ' ' GLU . . . . . 0.408 ' N ' HG13 ' B' ' 24' ' ' ILE . 0.6 OUTLIER -58.43 -43.97 88.96 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.531 179.754 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.58 -50.0 71.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.016 0.436 . . . . 0.0 110.217 179.554 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 27' ' ' HIS . . . . . 0.771 ' O ' HG22 ' B' ' 31' ' ' ILE . 45.3 m-70 -63.08 -25.55 68.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.294 179.334 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.594 ' CB ' HD12 ' A' ' 17' ' ' ILE . 15.1 ttpt -74.18 -27.97 61.07 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.916 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -76.72 -35.97 57.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.61 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 30' ' ' SER . . . . . 0.47 ' O ' HD12 ' B' ' 34' ' ' LEU . 14.6 t -72.78 -40.71 65.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.902 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.771 HG22 ' O ' ' B' ' 27' ' ' HIS . 3.4 tp -74.85 -31.01 24.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.298 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.73 -23.46 34.03 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.859 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 42.9 tttt -84.45 -31.53 24.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.342 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.491 HD13 HG22 ' A' ' 10' ' ' ILE . 9.7 mt -87.04 -27.26 23.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.905 0.384 . . . . 0.0 110.196 179.744 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 35' ' ' LYS . . . . . 0.409 ' CE ' ' O ' ' B' ' 35' ' ' LYS . 0.0 OUTLIER -83.64 -29.16 27.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.415 179.369 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -85.86 -30.83 22.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.564 179.621 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 60.2 m -85.42 -25.63 26.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.681 179.736 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 38' ' ' GLU . . . . . 0.419 ' CB ' ' O ' ' B' ' 34' ' ' LEU . 3.5 tm-20 -87.29 -24.71 24.24 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.813 179.787 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -88.37 -25.31 22.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.823 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -142.44 52.78 1.43 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 2.8 t0 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.879 -179.992 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.672 ' C ' HD22 ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.485 1.312 0 CA-C-O 120.857 0.361 . . . . 0.0 111.058 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.672 HD22 ' C ' ' A' ' 1' ' ' ALA . 0.7 OUTLIER 56.19 166.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.6 ttpt 52.04 99.86 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.9 ptpp? -106.55 22.61 15.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.158 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -91.66 -61.08 1.71 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.027 0.441 . . . . 0.0 110.448 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.543 ' HB2' HD21 ' B' ' 34' ' ' LEU . 3.8 p-80 -63.19 -33.32 75.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.349 179.646 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.37 -27.61 68.01 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.111 179.147 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -68.97 -59.76 2.83 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.866 179.283 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.438 ' CG ' ' NE2' ' A' ' 13' ' ' HIS . 3.2 tt0 -64.18 -18.02 64.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.214 178.748 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.996 HG13 HD13 ' B' ' 34' ' ' LEU . 5.7 mt -81.29 -29.79 11.01 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.261 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.881 179.711 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.5 t -73.74 -36.27 65.13 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.118 179.482 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.485 ' CE1' ' OE1' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -69.67 -48.8 58.46 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 115.91 -0.587 . . . . 0.0 109.832 179.527 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.673 ' HB2' HD13 ' B' ' 31' ' ' ILE . 13.2 m-70 -59.13 -33.06 70.43 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.765 0.317 . . . . 0.0 110.309 179.3 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.08 -45.85 90.21 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.351 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.419 ' O ' ' CB ' ' A' ' 19' ' ' ARG . 1.1 pttt -69.86 -16.42 63.25 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.364 178.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.55 ' HG2' ' CE1' ' B' ' 27' ' ' HIS . 0.0 OUTLIER -78.95 -44.29 22.84 Favored 'General case' 0 CA--C 1.528 0.109 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.508 -179.751 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.579 HD12 ' CB ' ' B' ' 28' ' ' LYS . 2.6 tt -76.41 -30.6 19.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.893 0.378 . . . . 0.0 110.576 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -79.64 -31.7 41.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.597 179.628 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.419 ' CB ' ' O ' ' A' ' 15' ' ' LYS . 51.5 ttt-85 -74.62 -40.05 61.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.764 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.951 ' CB ' HG22 ' B' ' 24' ' ' ILE . 7.6 mt -69.83 -36.02 75.24 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 179.523 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.606 ' CG ' HD13 ' B' ' 24' ' ' ILE . 7.1 mm-40 -62.27 -43.06 99.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.664 179.715 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.9 ttpt -61.2 -44.89 96.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.967 0.413 . . . . 0.0 110.51 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -58.46 -41.53 85.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.958 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.928 HG22 ' CB ' ' B' ' 20' ' ' LEU . 0.7 OUTLIER -64.86 -30.44 50.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.995 0.426 . . . . 0.0 110.321 179.935 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.427 ' N ' HG13 ' A' ' 24' ' ' ILE . 8.0 tt0 -62.72 -45.51 92.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.063 179.384 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -57.44 -50.68 72.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.086 179.274 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.79 ' O ' HG22 ' A' ' 31' ' ' ILE . 2.2 m80 -65.51 -20.34 66.3 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.544 179.245 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.584 ' CB ' HD12 ' B' ' 17' ' ' ILE . 6.9 ttpt -79.97 -26.64 39.91 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.754 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -76.95 -38.73 52.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.431 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.43 -41.1 66.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.806 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.79 HG22 ' O ' ' A' ' 27' ' ' HIS . 4.2 tp -76.36 -27.02 17.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.959 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.415 ' O ' ' CB ' ' A' ' 36' ' ' GLN . 34.5 ttpt -80.66 -25.53 38.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.531 179.457 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.9 mttm -77.34 -41.35 40.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.855 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.954 HD13 HG13 ' B' ' 10' ' ' ILE . 0.4 OUTLIER -75.57 -32.39 60.37 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.792 179.925 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt -81.55 -26.29 35.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.725 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.415 ' CB ' ' O ' ' A' ' 32' ' ' LYS . 7.9 tt0 -82.08 -25.86 34.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.789 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.86 -26.24 44.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -83.93 -29.51 27.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -88.25 -25.33 22.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -60.25 109.76 1.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.872 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 1' ' ' ALA . . . . . 0.665 ' C ' HD22 ' B' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.853 0.358 . . . . 0.0 111.034 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 2' ' ' LEU . . . . . 0.665 HD22 ' C ' ' B' ' 1' ' ' ALA . 0.7 OUTLIER 56.12 166.75 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.945 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 3.6 ttpt 51.93 100.01 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 1.9 ptpp? -106.58 22.4 15.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.041 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -91.48 -61.25 1.69 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.93 0.395 . . . . 0.0 110.473 179.693 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' HIS . . . . . 0.541 ' HB2' HD21 ' A' ' 34' ' ' LEU . 3.8 p-80 -62.92 -33.56 75.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.36 179.593 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.16 -27.66 68.19 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.088 179.234 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -69.01 -60.02 2.65 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.922 179.272 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.437 ' CG ' ' NE2' ' B' ' 13' ' ' HIS . 3.2 tt0 -63.89 -17.9 63.66 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.261 178.711 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.954 HG13 HD13 ' A' ' 34' ' ' LEU . 5.4 mt -81.0 -30.44 11.69 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.897 179.703 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 23.0 t -73.09 -36.61 66.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.174 179.551 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.48 ' CE1' ' OE1' ' B' ' 16' ' ' GLU . 0.0 OUTLIER -69.47 -48.53 60.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.839 179.563 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 13' ' ' HIS . . . . . 0.662 ' HB2' HD13 ' A' ' 31' ' ' ILE . 13.2 m-70 -59.56 -32.93 70.8 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.333 179.329 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.22 -45.5 91.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.478 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' LYS . . . . . 0.426 ' O ' ' CB ' ' B' ' 19' ' ' ARG . 1.1 pttt -70.14 -16.64 63.12 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.331 178.807 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.554 ' HG2' ' CE1' ' A' ' 27' ' ' HIS . 0.0 OUTLIER -78.53 -44.48 24.22 Favored 'General case' 0 N--CA 1.457 -0.085 0 CA-C-N 116.51 -0.313 . . . . 0.0 111.585 -179.881 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.584 HD12 ' CB ' ' A' ' 28' ' ' LYS . 2.6 tt -76.27 -30.93 20.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 120.847 0.356 . . . . 0.0 110.551 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -79.13 -31.48 44.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.679 179.481 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 19' ' ' ARG . . . . . 0.426 ' CB ' ' O ' ' B' ' 15' ' ' LYS . 51.2 ttt-85 -74.8 -40.19 61.28 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.822 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.928 ' CB ' HG22 ' A' ' 24' ' ' ILE . 6.4 mt -70.48 -34.47 72.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.872 0.368 . . . . 0.0 110.017 179.592 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 21' ' ' GLN . . . . . 0.611 ' CG ' HD13 ' A' ' 24' ' ' ILE . 6.9 mm-40 -63.45 -43.1 98.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.47 179.565 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 18.6 ttpt -61.44 -44.62 96.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.963 0.411 . . . . 0.0 110.529 179.664 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -58.35 -42.01 85.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.996 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.951 HG22 ' CB ' ' A' ' 20' ' ' LEU . 0.7 OUTLIER -64.58 -30.52 50.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.977 0.418 . . . . 0.0 110.213 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 25' ' ' GLU . . . . . 0.419 ' N ' HG13 ' B' ' 24' ' ' ILE . 8.1 tt0 -62.28 -45.72 91.99 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.043 179.45 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -57.32 -50.62 72.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.067 179.263 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 27' ' ' HIS . . . . . 0.804 ' O ' HG22 ' B' ' 31' ' ' ILE . 2.2 m80 -65.59 -20.01 66.14 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.584 179.254 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.579 ' CB ' HD12 ' A' ' 17' ' ' ILE . 6.9 ttpt -80.36 -26.56 38.59 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.733 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -76.99 -38.64 52.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.452 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.42 -41.21 66.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.863 179.759 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.804 HG22 ' O ' ' B' ' 27' ' ' HIS . 4.3 tp -76.24 -27.05 17.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.959 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 32' ' ' LYS . . . . . 0.42 ' CB ' ' O ' ' B' ' 28' ' ' LYS . 34.6 ttpt -80.71 -25.29 38.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.57 179.466 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 9.9 mttm -77.51 -41.29 39.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.861 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.996 HD13 HG13 ' A' ' 10' ' ' ILE . 0.4 OUTLIER -75.73 -32.19 59.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.794 179.932 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt -81.81 -26.49 34.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.701 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 36' ' ' GLN . . . . . 0.413 ' CB ' ' O ' ' B' ' 32' ' ' LYS . 8.0 tt0 -81.97 -25.83 34.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.789 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 3.1 m -78.78 -26.09 44.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.91 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -84.15 -29.77 26.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.831 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -87.95 -25.35 23.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.959 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -60.18 109.81 1.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.228 -0.891 . . . . 0.0 110.91 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.314 0 CA-C-O 120.87 0.367 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.46 ' O ' ' CE1' ' A' ' 5' ' ' HIS . 0.3 OUTLIER -68.71 160.48 30.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.521 ' HD3' ' CD2' ' A' ' 6' ' ' HIS . 0.0 OUTLIER -104.21 24.74 11.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.0 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.64 -41.23 32.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.783 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.46 ' CE1' ' O ' ' A' ' 2' ' ' LEU . 28.9 p-80 -51.22 -24.96 4.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.782 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.521 ' CD2' ' HD3' ' A' ' 3' ' ' LYS . 3.2 m-70 -60.29 -50.85 71.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.927 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -55.41 -25.46 35.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.775 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -72.45 -58.15 3.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.298 179.661 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -57.02 -21.15 28.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.309 179.051 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.718 HD11 ' O ' ' B' ' 34' ' ' LEU . 0.0 OUTLIER -72.73 -55.18 13.81 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.457 179.945 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.445 ' N ' HG22 ' A' ' 10' ' ' ILE . 0.4 OUTLIER -60.69 -26.17 66.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.725 179.91 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -72.83 -49.12 32.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.268 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.935 ' O ' HG23 ' A' ' 17' ' ' ILE . 13.3 m-70 -59.55 -30.28 68.5 Favored 'General case' 0 CA--C 1.52 -0.199 0 C-N-CA 120.932 -0.307 . . . . 0.0 110.32 179.568 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.09 -55.28 19.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.426 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.0 mmtm -64.27 -15.21 59.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.534 179.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.606 ' HB3' ' CD2' ' B' ' 27' ' ' HIS . 3.1 mm-40 -84.34 -33.62 23.83 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.901 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.935 HG23 ' O ' ' A' ' 13' ' ' HIS . 1.0 OUTLIER -76.23 -36.95 31.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 CA-C-O 120.99 0.424 . . . . 0.0 110.51 179.724 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -77.53 -40.01 44.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.291 179.286 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.0 -27.32 62.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.245 179.511 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.695 ' HB3' HG22 ' B' ' 24' ' ' ILE . 8.5 mt -71.19 -43.04 68.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.108 179.436 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.45 ' HA ' HG21 ' B' ' 24' ' ' ILE . 0.0 OUTLIER -60.65 -46.15 91.38 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.65 179.597 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.405 ' CE ' ' HA ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -62.68 -33.46 75.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.729 179.855 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -67.99 -37.26 81.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.049 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.701 HG22 ' HB3' ' B' ' 20' ' ' LEU . 0.5 OUTLIER -64.76 -40.81 90.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.066 0.46 . . . . 0.0 110.197 179.929 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.41 ' N ' HG13 ' A' ' 24' ' ' ILE . 0.2 OUTLIER -61.39 -41.15 96.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.314 179.566 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.9 ttp180 -58.31 -41.68 85.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.238 179.479 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.764 ' HB3' HG22 ' B' ' 17' ' ' ILE . 0.1 OUTLIER -66.83 -27.14 67.31 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.942 179.277 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.473 ' HA ' HG22 ' A' ' 31' ' ' ILE . 0.2 OUTLIER -72.4 -32.11 66.11 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.644 179.686 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -69.56 -41.61 75.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.682 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.84 -44.04 78.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.016 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.784 HG21 HG21 ' B' ' 17' ' ' ILE . 5.4 tp -70.19 -25.19 27.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.09 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.9 mtpp -77.6 -35.61 52.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.953 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.3 tptt -79.32 -27.26 42.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.713 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.707 ' O ' HD11 ' B' ' 10' ' ' ILE . 1.2 mt -80.79 -28.88 36.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.688 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 33.9 mttt -79.45 -36.56 38.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.764 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -78.06 -29.62 49.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.683 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.407 ' HG ' ' HA ' ' A' ' 34' ' ' LEU . 89.0 p -79.57 -26.5 41.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.14 -25.24 47.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.84 -28.58 60.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -111.8 118.15 34.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.178 -0.915 . . . . 0.0 110.857 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.792 0.33 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' LEU . . . . . 0.463 ' O ' ' CE1' ' B' ' 5' ' ' HIS . 0.3 OUTLIER -68.72 160.45 30.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 3' ' ' LYS . . . . . 0.535 ' HD3' ' CD2' ' B' ' 6' ' ' HIS . 0.0 OUTLIER -104.12 24.73 10.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.012 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.62 -41.27 32.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.83 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 5' ' ' HIS . . . . . 0.463 ' CE1' ' O ' ' B' ' 2' ' ' LEU . 29.4 p-80 -51.2 -24.94 4.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.824 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 6' ' ' HIS . . . . . 0.535 ' CD2' ' HD3' ' B' ' 3' ' ' LYS . 3.3 m-70 -60.33 -50.89 71.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.824 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -55.48 -25.4 36.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.748 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -72.42 -58.25 3.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.278 179.659 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -56.99 -21.11 28.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.317 179.081 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.707 HD11 ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -72.77 -55.01 14.32 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.485 179.934 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 11' ' ' SER . . . . . 0.43 ' N ' HG22 ' B' ' 10' ' ' ILE . 0.4 OUTLIER -60.81 -26.18 67.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.734 179.901 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -72.93 -48.9 32.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.284 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 13' ' ' HIS . . . . . 0.911 ' O ' HG23 ' B' ' 17' ' ' ILE . 13.4 m-70 -59.69 -30.18 68.61 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.339 179.543 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.403 ' O ' HG13 ' B' ' 17' ' ' ILE . . . -65.26 -55.23 19.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.345 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 28.1 mmtm -64.18 -15.36 59.72 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.497 178.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.599 ' HB3' ' CD2' ' A' ' 27' ' ' HIS . 3.1 mm-40 -84.17 -33.71 24.15 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.977 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.911 HG23 ' O ' ' B' ' 13' ' ' HIS . 1.0 OUTLIER -76.22 -37.0 31.47 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 CA-C-O 120.928 0.394 . . . . 0.0 110.44 179.783 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -77.47 -39.99 44.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.262 179.295 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.0 -27.31 62.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.313 179.516 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.701 ' HB3' HG22 ' A' ' 24' ' ' ILE . 8.5 mt -71.19 -43.05 68.19 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.156 179.404 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 21' ' ' GLN . . . . . 0.45 ' HA ' HG21 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -60.63 -46.2 91.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.609 179.61 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 22' ' ' LYS . . . . . 0.413 ' HA ' ' CE ' ' B' ' 22' ' ' LYS . 0.0 OUTLIER -62.62 -33.52 75.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.729 179.845 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -67.96 -37.24 81.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.091 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.697 HG23 ' O ' ' B' ' 20' ' ' LEU . 0.5 OUTLIER -64.88 -40.66 89.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.074 0.464 . . . . 0.0 110.202 179.944 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 25' ' ' GLU . . . . . 0.412 ' N ' HG13 ' B' ' 24' ' ' ILE . 0.2 OUTLIER -61.52 -41.09 96.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.302 179.526 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 10.9 ttp180 -58.38 -41.7 85.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.175 179.514 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 27' ' ' HIS . . . . . 0.786 ' HB3' HG22 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -66.83 -27.1 67.27 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.966 179.276 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.475 ' HA ' HG22 ' B' ' 31' ' ' ILE . 0.2 OUTLIER -72.39 -32.11 66.13 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.653 179.645 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -69.63 -41.56 75.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.709 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.72 -44.12 78.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.98 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.778 HG21 HG21 ' A' ' 17' ' ' ILE . 5.4 tp -70.14 -25.29 27.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 23.9 mtpp -77.56 -35.61 52.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.946 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 8.3 tptt -79.3 -27.28 42.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.774 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.718 ' O ' HD11 ' A' ' 10' ' ' ILE . 1.1 mt -80.8 -28.8 36.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.715 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 33.8 mttt -79.41 -36.63 38.78 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.799 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -78.08 -29.53 49.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.707 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 37' ' ' SER . . . . . 0.44 ' HG ' ' HA ' ' B' ' 34' ' ' LEU . 89.1 p -79.61 -26.57 41.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.794 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.13 -25.3 47.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.69 -28.73 60.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -111.71 118.21 35.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.934 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.885 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.8 0.333 . . . . 0.0 111.091 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -91.95 126.15 36.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.513 179.725 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.447 ' CD ' ' N ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -100.42 -41.85 6.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.432 -179.502 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 72.14 -81.08 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.227 -179.951 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 45.7 p-80 -45.01 -32.47 1.67 Allowed 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.074 0.464 . . . . 0.0 110.714 179.822 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.649 ' C ' HD12 ' A' ' 10' ' ' ILE . 2.2 m80 -66.4 -50.45 63.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.135 179.386 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.407 ' HA ' ' HB ' ' A' ' 10' ' ' ILE . 1.0 OUTLIER -57.35 -22.57 43.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.323 178.893 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -70.05 -62.34 1.43 Allowed 'General case' 0 C--O 1.231 0.111 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.603 179.77 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.465 ' O ' ' CD2' ' A' ' 13' ' ' HIS . 2.5 mp0 -68.28 -12.28 60.78 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-O 120.95 0.405 . . . . 0.0 110.582 179.007 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.649 HD12 ' C ' ' A' ' 6' ' ' HIS . 53.8 mt -86.03 -29.77 6.19 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.946 179.887 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 26.8 t -78.24 -30.49 48.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.785 179.076 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.516 ' CE1' ' CE1' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -73.95 -48.01 33.53 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 115.745 -0.662 . . . . 0.0 109.776 179.519 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.516 ' CE1' ' CE1' ' A' ' 12' ' ' HIS . 14.2 m-70 -64.18 -30.75 71.8 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 178.906 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.434 ' N ' HG13 ' B' ' 31' ' ' ILE . . . -65.32 -39.36 92.36 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.32 179.509 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 43.6 mttt -71.79 -23.47 61.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.433 179.193 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.424 ' CB ' ' CE1' ' B' ' 27' ' ' HIS . 0.3 OUTLIER -75.05 -41.62 58.67 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.224 179.897 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.705 HD12 ' CB ' ' B' ' 28' ' ' LYS . 2.2 tt -74.58 -34.21 34.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.745 0.307 . . . . 0.0 110.631 179.817 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -76.0 -29.47 58.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.436 179.611 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 18.8 ttp85 -73.32 -44.11 59.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.672 179.805 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.949 ' CB ' HG22 ' B' ' 24' ' ' ILE . 10.9 mt -66.31 -34.55 78.24 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.062 179.554 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.416 ' O ' HG13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -62.87 -44.04 97.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.63 179.642 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.3 mtpp -58.61 -46.52 86.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.591 179.684 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -57.76 -43.74 85.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.034 179.909 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.943 HG22 ' CB ' ' B' ' 20' ' ' LEU . 0.7 OUTLIER -63.18 -31.08 51.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 121.013 0.435 . . . . 0.0 110.188 179.934 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.425 ' N ' HG13 ' A' ' 24' ' ' ILE . 52.7 tt0 -61.6 -45.96 91.86 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.146 179.521 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.8 ttm-85 -57.22 -48.84 77.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.06 179.255 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.473 ' O ' HG22 ' A' ' 31' ' ' ILE . 0.2 OUTLIER -64.27 -22.78 67.07 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.616 179.313 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.704 ' CB ' HD12 ' B' ' 17' ' ' ILE . 0.0 OUTLIER -77.59 -30.13 52.33 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.87 179.968 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -74.41 -36.8 63.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.468 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.6 m -73.8 -42.66 60.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.904 179.872 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.473 HG22 ' O ' ' A' ' 27' ' ' HIS . 0.0 OUTLIER -76.69 -21.69 14.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.222 179.897 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.414 ' CB ' ' O ' ' A' ' 28' ' ' LYS . 3.9 ttmt -83.76 -28.46 28.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.927 0.394 . . . . 0.0 110.374 179.527 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -76.48 -39.27 53.66 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.505 179.71 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.1 mt -75.05 -36.99 61.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.591 179.818 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.5 ttpt -77.18 -25.88 52.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.765 179.839 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -79.2 -31.06 43.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.864 179.835 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.2 m -73.87 -25.54 60.1 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 179.911 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.3 tm-20 -73.67 -25.57 60.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -122.26 26.43 8.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.936 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.63 167.99 20.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 179.953 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.3 t0 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.915 179.984 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 1' ' ' ALA . . . . . 0.67 ' HB1' ' HE3' ' B' ' 3' ' ' LYS . . . . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.78 0.324 . . . . 0.0 110.96 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -103.38 118.38 36.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.29 -179.81 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 3' ' ' LYS . . . . . 0.67 ' HE3' ' HB1' ' B' ' 1' ' ' ALA . 0.0 OUTLIER -114.47 73.77 0.84 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.301 179.497 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 1.7 mmtp -45.06 -60.98 1.81 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.076 -0.511 . . . . 0.0 112.18 -179.387 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 45.4 p-80 -49.3 -35.15 17.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.718 0.294 . . . . 0.0 111.323 -179.141 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 6' ' ' HIS . . . . . 0.62 ' C ' HD12 ' B' ' 10' ' ' ILE . 2.7 m80 -64.75 -49.68 69.85 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.824 179.926 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.04 -22.39 49.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.722 0.296 . . . . 0.0 110.475 179.323 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -70.5 -62.03 1.54 Allowed 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.571 179.78 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.479 ' O ' ' CD2' ' B' ' 13' ' ' HIS . 2.3 mp0 -68.41 -12.42 61.13 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.001 0.429 . . . . 0.0 110.621 179.084 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.62 HD12 ' C ' ' B' ' 6' ' ' HIS . 53.5 mt -85.78 -30.29 6.36 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.079 179.868 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 26.8 t -77.81 -30.71 51.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.835 179.053 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.508 ' CE1' ' CE1' ' B' ' 13' ' ' HIS . 0.0 OUTLIER -73.54 -48.22 34.72 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.859 179.539 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 13' ' ' HIS . . . . . 0.508 ' CE1' ' CE1' ' B' ' 12' ' ' HIS . 14.2 m-70 -63.89 -30.95 71.99 Favored 'General case' 0 CA--C 1.521 -0.153 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 178.968 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.447 ' N ' HG13 ' A' ' 31' ' ' ILE . . . -65.23 -39.47 92.78 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.248 179.659 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 43.6 mttt -71.56 -23.59 61.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.36 179.265 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.42 ' CB ' ' CE1' ' A' ' 27' ' ' HIS . 0.3 OUTLIER -74.88 -41.94 58.81 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.15 -179.979 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.704 HD12 ' CB ' ' A' ' 28' ' ' LYS . 2.2 tt -74.33 -34.24 36.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.791 0.329 . . . . 0.0 110.653 179.869 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -76.01 -29.36 58.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.493 179.616 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 18.9 ttp85 -73.37 -44.13 59.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.663 179.808 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.943 ' CB ' HG22 ' A' ' 24' ' ' ILE . 10.8 mt -66.28 -34.6 78.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.1 179.511 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 21' ' ' GLN . . . . . 0.416 ' O ' HG13 ' B' ' 24' ' ' ILE . 0.0 OUTLIER -62.8 -44.17 96.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.562 179.695 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 7.2 mtpp -58.49 -46.58 86.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.613 179.747 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -57.67 -43.8 85.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.009 179.878 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.949 HG22 ' CB ' ' A' ' 20' ' ' LEU . 0.6 OUTLIER -63.04 -31.2 51.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.993 0.425 . . . . 0.0 110.203 179.927 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 25' ' ' GLU . . . . . 0.428 ' N ' HG13 ' B' ' 24' ' ' ILE . 52.5 tt0 -61.67 -45.89 92.09 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.125 179.569 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 2.8 ttm-85 -57.22 -48.82 77.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.066 179.223 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 27' ' ' HIS . . . . . 0.478 ' O ' HG22 ' B' ' 31' ' ' ILE . 0.2 OUTLIER -64.32 -22.84 67.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.617 179.318 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.705 ' CB ' HD12 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -77.57 -30.15 52.47 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 179.942 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -74.25 -36.82 63.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.606 179.832 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 3.6 m -73.87 -42.52 60.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.831 179.881 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.486 HG22 ' HA ' ' B' ' 28' ' ' LYS . 0.0 OUTLIER -76.77 -21.77 14.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.173 179.96 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 32' ' ' LYS . . . . . 0.421 ' CB ' ' O ' ' B' ' 28' ' ' LYS . 3.9 ttmt -83.7 -28.45 28.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.412 179.523 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -76.52 -39.3 53.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.543 179.735 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 4.2 mt -75.06 -36.82 61.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.611 179.716 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 7.5 ttpt -77.25 -26.29 52.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.638 179.832 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -79.11 -30.63 43.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.79 179.929 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 58.7 m -74.07 -25.59 59.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.842 179.946 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -73.89 -25.56 60.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.948 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -122.07 26.69 8.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.941 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.84 167.87 20.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.883 179.948 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 3.3 t0 . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.188 -0.91 . . . . 0.0 110.899 179.952 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.795 0.331 . . . . 0.0 111.088 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -126.89 145.22 50.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 24.1 mtmt -123.23 82.96 2.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -82.64 -32.22 28.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.953 179.944 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 5.8 p-80 -52.39 -34.02 46.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.483 ' ND1' HD11 ' B' ' 34' ' ' LEU . 0.0 OUTLIER -61.51 -54.91 37.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.52 179.935 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.404 ' HA ' ' HB ' ' A' ' 10' ' ' ILE . 21.3 tt0 -53.17 -23.24 7.91 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.741 179.497 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -70.27 -60.42 2.29 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.511 179.786 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.478 ' O ' ' CD2' ' A' ' 13' ' ' HIS . 4.5 mp0 -69.95 -9.43 55.05 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.802 178.94 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.802 HD11 HD12 ' B' ' 34' ' ' LEU . 45.5 mt -89.15 -30.26 5.24 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.057 179.881 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 81.1 p -79.58 -29.28 41.18 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.967 179.098 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.49 ' CE1' ' CE1' ' A' ' 13' ' ' HIS . 0.1 OUTLIER -78.33 -48.75 14.96 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.902 179.435 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.609 ' HB2' HD13 ' B' ' 31' ' ' ILE . 16.3 m-70 -66.81 -25.94 66.7 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 120.461 -0.496 . . . . 0.0 109.863 178.77 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.479 ' HB2' ' O ' ' A' ' 10' ' ' ILE . . . -66.88 -49.58 65.17 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.179 179.694 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.6 tttt -68.14 -19.44 64.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.423 179.004 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.403 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 10.8 mm-40 -78.4 -38.39 41.73 Favored 'General case' 0 C--N 1.334 -0.087 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.476 -179.828 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.721 ' O ' HD13 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -78.35 -27.97 14.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.836 0.351 . . . . 0.0 110.788 179.872 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -80.56 -34.45 35.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.376 179.423 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.3 mmt85 -73.45 -39.75 64.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.273 179.538 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.751 HD12 HG22 ' B' ' 24' ' ' ILE . 0.0 OUTLIER -66.52 -40.85 89.39 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.145 179.464 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.413 ' HA ' HG21 ' B' ' 24' ' ' ILE . 8.5 tt0 -60.32 -42.37 95.44 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.654 179.62 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.4 ttmt -59.94 -40.65 89.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.599 179.726 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.41 -47.88 83.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.107 179.946 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.755 HG22 HD12 ' B' ' 20' ' ' LEU . 0.6 OUTLIER -58.7 -36.14 58.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.048 0.451 . . . . 0.0 110.084 179.914 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.409 ' N ' HG13 ' A' ' 24' ' ' ILE . 0.5 OUTLIER -59.59 -43.95 93.51 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.435 179.632 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -55.75 -49.14 73.9 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.074 179.451 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.597 ' O ' HG22 ' A' ' 31' ' ' ILE . 0.5 OUTLIER -63.43 -25.92 68.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.283 179.265 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.468 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 5.5 ttmt -76.54 -25.37 54.03 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.869 179.911 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -75.72 -40.1 56.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.608 179.788 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 19.1 m -68.8 -41.73 78.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.88 179.812 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.627 HD13 ' HB2' ' B' ' 13' ' ' HIS . 4.2 tp -72.64 -26.42 23.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.949 179.884 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -75.99 -34.39 59.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.543 179.611 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.0 tmmm? -73.26 -33.22 65.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.438 179.574 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.818 HD12 HD11 ' B' ' 10' ' ' ILE . 0.1 OUTLIER -69.33 -42.06 75.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.632 179.784 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.7 ttmm -70.96 -29.23 65.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 179.996 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -75.3 -28.83 59.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 58.7 m -72.67 -29.01 63.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -68.88 -31.35 70.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -73.95 -45.32 51.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.851 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -146.29 150.73 36.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.955 179.946 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.0 p30 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.253 -0.879 . . . . 0.0 110.886 -179.967 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 120.754 0.311 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -126.91 145.14 50.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 -179.931 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 24.1 mtmt -123.21 83.0 2.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 7.9 mttt -82.61 -32.27 28.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 179.941 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 5.8 p-80 -52.44 -34.01 46.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.943 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 6' ' ' HIS . . . . . 0.483 ' ND1' HD11 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -61.47 -54.92 37.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.564 179.89 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.4 ' HA ' ' HB ' ' B' ' 10' ' ' ILE . 21.3 tt0 -53.19 -23.2 7.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.711 179.479 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -70.28 -60.44 2.27 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.501 179.79 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.471 ' O ' ' CD2' ' B' ' 13' ' ' HIS . 4.5 mp0 -69.93 -9.47 55.13 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.767 178.979 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.818 HD11 HD12 ' A' ' 34' ' ' LEU . 45.9 mt -89.08 -30.27 5.25 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.1 179.874 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 81.1 p -79.59 -29.31 41.14 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.939 179.115 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.488 ' CE1' ' CE1' ' B' ' 13' ' ' HIS . 0.1 OUTLIER -78.24 -48.83 14.92 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.822 -0.627 . . . . 0.0 109.903 179.428 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 13' ' ' HIS . . . . . 0.627 ' HB2' HD13 ' A' ' 31' ' ' ILE . 16.3 m-70 -66.82 -25.85 66.65 Favored 'General case' 0 C--N 1.333 -0.13 0 C-N-CA 120.433 -0.507 . . . . 0.0 109.931 178.804 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.479 ' HB2' ' O ' ' B' ' 10' ' ' ILE . . . -66.93 -49.61 64.99 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.14 179.672 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 17.5 tttt -68.08 -19.48 64.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.453 178.997 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.402 ' O ' ' HB2' ' B' ' 20' ' ' LEU . 10.8 mm-40 -78.38 -38.42 41.81 Favored 'General case' 0 C--N 1.334 -0.077 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.442 -179.806 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.726 HD13 ' O ' ' B' ' 17' ' ' ILE . 0.0 OUTLIER -78.37 -27.95 14.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.843 0.354 . . . . 0.0 110.768 179.924 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -80.5 -34.5 35.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.401 179.381 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 2.4 mmt85 -73.43 -39.67 64.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.3 179.531 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.755 HD12 HG22 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -66.65 -40.82 88.83 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.108 179.519 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -60.32 -42.33 95.37 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.659 179.619 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 3.4 ttmt -59.96 -40.72 90.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.575 179.728 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.33 -47.9 83.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 179.934 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.751 HG22 HD12 ' A' ' 20' ' ' LEU . 0.6 OUTLIER -58.73 -36.13 59.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.01 0.433 . . . . 0.0 110.045 179.949 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 25' ' ' GLU . . . . . 0.41 ' N ' HG13 ' B' ' 24' ' ' ILE . 0.5 OUTLIER -59.58 -44.02 93.45 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.427 179.623 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -55.69 -49.13 73.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.07 179.44 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 27' ' ' HIS . . . . . 0.604 ' O ' HG22 ' B' ' 31' ' ' ILE . 0.4 OUTLIER -63.47 -25.93 68.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.271 179.279 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.455 ' HA ' ' CG2' ' B' ' 31' ' ' ILE . 5.4 ttmt -76.51 -25.34 54.09 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.879 179.886 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -75.8 -40.1 55.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.569 179.811 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 19.2 m -68.81 -41.75 78.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.851 179.853 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.609 HD13 ' HB2' ' A' ' 13' ' ' HIS . 4.2 tp -72.64 -26.42 23.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.931 179.94 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 8.3 mmtt -75.99 -34.38 59.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.561 179.612 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 4.0 tmmm? -73.3 -33.13 65.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.461 179.572 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.802 HD12 HD11 ' A' ' 10' ' ' ILE . 0.1 OUTLIER -69.37 -42.1 75.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.613 179.764 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 3.7 ttmm -70.88 -29.26 65.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.954 179.954 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -75.29 -28.81 59.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 58.5 m -72.72 -28.99 62.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -68.89 -31.35 70.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -73.85 -45.39 51.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.953 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -146.23 150.74 36.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.918 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 3.0 p30 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.873 179.998 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.68 ' C ' HD23 ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.85 0.357 . . . . 0.0 111.064 . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.68 HD23 ' C ' ' A' ' 1' ' ' ALA . 0.1 OUTLIER -153.09 54.39 0.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.93 -179.972 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.8 mmtm -55.67 -42.39 75.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.817 179.885 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 70.42 20.43 6.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.252 179.911 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.417 ' NE2' ' CD2' ' A' ' 6' ' ' HIS . 0.6 OUTLIER -93.1 -33.56 14.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.975 0.416 . . . . 0.0 110.593 179.685 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.426 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 43.3 m170 -64.09 -41.48 97.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.485 179.806 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -61.65 -25.97 67.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.873 0.368 . . . . 0.0 110.281 179.296 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -68.91 -61.93 1.59 Allowed 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.312 179.455 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.669 ' HG2' HD13 ' B' ' 34' ' ' LEU . 10.3 tt0 -67.05 -13.21 61.7 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.566 178.944 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.585 ' O ' ' HB2' ' A' ' 14' ' ' ALA . 37.7 mt -87.38 -26.08 5.96 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.091 179.728 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.5 t -75.59 -40.46 56.48 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.804 179.034 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.491 ' CE1' ' CE1' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -69.76 -50.4 43.69 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.559 179.123 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.494 ' HB3' ' HB ' ' B' ' 31' ' ' ILE . 16.1 m-70 -63.33 -27.7 69.5 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 178.591 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.585 ' HB2' ' O ' ' A' ' 10' ' ' ILE . . . -65.83 -34.94 79.31 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-O 121.243 0.544 . . . . 0.0 109.95 179.215 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.7 ttpt -74.43 -24.71 59.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.053 178.829 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.605 ' HG2' ' CE1' ' B' ' 27' ' ' HIS . 0.0 OUTLIER -74.09 -42.9 59.4 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.601 179.998 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.747 HD12 ' CB ' ' B' ' 28' ' ' LYS . 1.4 tt -74.79 -27.32 20.35 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-O 120.894 0.378 . . . . 0.0 110.417 179.642 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.99 -36.2 59.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.82 179.649 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -73.28 -43.01 61.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.63 179.799 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.812 ' O ' HG23 ' A' ' 24' ' ' ILE . 1.4 tp -68.62 -33.01 73.3 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.013 179.627 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.42 -41.73 96.44 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.394 179.418 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.48 -46.02 91.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.41 179.554 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.474 ' C ' HD23 ' B' ' 20' ' ' LEU . 0.2 OUTLIER -56.63 -44.78 81.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.75 179.645 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.812 HG23 ' O ' ' A' ' 20' ' ' LEU . 0.6 OUTLIER -68.4 -24.19 29.24 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.054 179.629 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.449 ' HA ' ' CG ' ' A' ' 28' ' ' LYS . 0.2 OUTLIER -73.84 -25.64 60.18 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.553 179.84 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -78.0 -45.83 22.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.448 179.644 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.486 ' CG ' ' HB3' ' B' ' 16' ' ' GLU . 1.2 m-70 -72.74 -25.83 61.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.089 179.842 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.748 ' CB ' HD12 ' B' ' 17' ' ' ILE . 0.0 OUTLIER -80.96 -29.73 35.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.82 0.343 . . . . 0.0 110.279 179.659 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.42 ' HB2' ' HE2' ' A' ' 28' ' ' LYS . 35.1 tt0 -70.46 -39.71 74.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.392 179.532 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.68 -44.26 67.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.749 179.767 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.598 HG22 ' HA ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -70.12 -23.64 25.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.145 -179.948 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.59 ' HD2' HG23 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -78.44 -33.34 48.54 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.618 179.611 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.9 mttm -71.47 -37.85 71.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.594 179.831 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.691 HD13 ' HG2' ' B' ' 9' ' ' GLU . 0.5 OUTLIER -70.09 -41.41 74.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 179.932 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.431 ' HA ' ' CD1' ' B' ' 10' ' ' ILE . 0.0 OUTLIER -74.21 -24.82 59.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.947 179.976 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -79.31 -27.15 42.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.825 179.829 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.11 -26.4 60.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -72.28 -24.83 61.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -136.98 29.84 2.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.841 -179.967 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 53.38 -177.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.2 t70 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.898 179.981 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 1' ' ' ALA . . . . . 0.683 ' C ' HD23 ' B' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.766 0.317 . . . . 0.0 111.056 . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 2' ' ' LEU . . . . . 0.683 HD23 ' C ' ' B' ' 1' ' ' ALA . 0.1 OUTLIER -153.1 54.43 0.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.941 -179.962 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 14.9 mmtm -55.85 -42.36 75.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.746 179.932 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 70.4 20.43 6.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.275 179.903 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 5' ' ' HIS . . . . . 0.42 ' NE2' ' CD2' ' B' ' 6' ' ' HIS . 0.6 OUTLIER -93.08 -33.64 13.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.019 0.438 . . . . 0.0 110.604 179.736 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 6' ' ' HIS . . . . . 0.433 ' O ' ' CG1' ' B' ' 10' ' ' ILE . 43.9 m170 -64.04 -41.52 97.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.566 179.759 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -61.65 -25.95 67.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.263 179.328 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -68.88 -61.9 1.61 Allowed 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.338 179.469 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.691 ' HG2' HD13 ' A' ' 34' ' ' LEU . 10.2 tt0 -66.99 -13.35 61.8 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.502 178.911 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.593 ' O ' ' HB2' ' B' ' 14' ' ' ALA . 37.9 mt -87.32 -26.08 5.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.047 179.792 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 1.5 t -75.64 -40.47 56.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.724 179.061 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.493 ' CE1' ' CE1' ' B' ' 13' ' ' HIS . 0.0 OUTLIER -69.8 -50.3 44.35 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.513 179.194 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 13' ' ' HIS . . . . . 0.498 ' HB3' ' HB ' ' A' ' 31' ' ' ILE . 16.4 m-70 -63.51 -27.6 69.38 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 178.633 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.593 ' HB2' ' O ' ' B' ' 10' ' ' ILE . . . -65.93 -34.85 79.07 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.211 0.529 . . . . 0.0 109.891 179.252 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 4.8 ttpt -74.56 -24.66 58.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.934 178.895 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.486 ' HB3' ' CG ' ' A' ' 27' ' ' HIS . 0.0 OUTLIER -74.18 -42.79 59.31 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.552 -179.979 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.748 HD12 ' CB ' ' A' ' 28' ' ' LYS . 1.4 tt -74.86 -27.38 20.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.793 0.33 . . . . 0.0 110.318 179.64 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.01 -36.23 59.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.746 179.731 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -73.26 -43.1 61.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.62 179.806 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.81 ' O ' HG23 ' B' ' 24' ' ' ILE . 1.4 tp -68.55 -32.95 73.24 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.073 179.567 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.44 -41.74 96.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.378 179.439 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.48 -46.01 91.64 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.444 179.551 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 23' ' ' GLU . . . . . 0.472 ' C ' HD23 ' A' ' 20' ' ' LEU . 0.3 OUTLIER -56.74 -44.65 81.88 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.768 179.711 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.81 HG23 ' O ' ' B' ' 20' ' ' LEU . 0.6 OUTLIER -68.45 -24.25 29.2 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.022 179.579 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 25' ' ' GLU . . . . . 0.451 ' HA ' ' CG ' ' B' ' 28' ' ' LYS . 0.2 OUTLIER -73.78 -25.65 60.24 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.605 179.809 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -77.98 -45.91 22.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.411 179.662 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 27' ' ' HIS . . . . . 0.605 ' CE1' ' HG2' ' A' ' 16' ' ' GLU . 0.2 OUTLIER -72.68 -25.83 61.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.072 179.873 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.747 ' CB ' HD12 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -80.99 -29.73 35.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.925 0.393 . . . . 0.0 110.294 179.669 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 29' ' ' GLN . . . . . 0.414 ' HB2' ' HE2' ' B' ' 28' ' ' LYS . 35.2 tt0 -70.52 -39.54 74.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.392 179.539 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.78 -44.28 66.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.695 179.758 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.6 HG23 ' HD2' ' B' ' 32' ' ' LYS . 0.0 OUTLIER -70.07 -23.66 25.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.213 -179.956 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 32' ' ' LYS . . . . . 0.6 ' HD2' HG23 ' B' ' 31' ' ' ILE . 0.0 OUTLIER -78.39 -33.43 48.79 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.653 179.593 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 8.0 mttm -71.4 -37.93 71.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.613 179.812 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.669 HD13 ' HG2' ' A' ' 9' ' ' GLU . 0.5 OUTLIER -70.1 -41.31 74.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.947 179.897 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 35' ' ' LYS . . . . . 0.42 ' HA ' ' CD1' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -74.25 -24.77 59.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.903 179.894 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -79.46 -27.07 41.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.782 179.915 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.13 -26.5 60.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 179.876 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -72.08 -24.83 61.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.862 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -137.06 29.76 2.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.902 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 53.39 -177.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 2.2 t70 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.909 -179.984 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.28 0 CA-C-O 120.791 0.329 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.545 ' O ' HD23 ' A' ' 2' ' ' LEU . 1.0 OUTLIER -175.79 36.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.827 179.95 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.64 83.92 2.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.983 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.23 -37.83 2.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.11 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -59.69 -26.11 65.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.133 -179.923 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 10.3 p-80 -64.48 -34.14 77.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.955 -179.814 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.404 ' O ' HG22 ' A' ' 10' ' ' ILE . 21.7 tt0 -60.78 -38.98 87.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.733 179.758 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -67.04 -54.92 17.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.123 179.539 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.503 ' HG3' ' CE1' ' A' ' 13' ' ' HIS . 0.3 OUTLIER -59.56 -18.37 40.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.311 178.619 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.879 HD12 HD22 ' B' ' 34' ' ' LEU . 0.0 OUTLIER -71.77 -52.6 24.49 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.593 179.869 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.402 ' N ' HG22 ' A' ' 10' ' ' ILE . 21.4 m -63.04 -29.36 70.76 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -72.49 -43.09 64.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.341 -179.919 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.923 ' O ' HG23 ' A' ' 17' ' ' ILE . 11.0 m-70 -61.33 -32.53 72.4 Favored 'General case' 0 C--O 1.224 -0.246 0 C-N-CA 120.926 -0.309 . . . . 0.0 110.369 179.549 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.401 ' O ' HG13 ' A' ' 17' ' ' ILE . . . -65.41 -56.37 12.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.875 0.369 . . . . 0.0 110.236 -179.944 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.4 ' O ' ' CG ' ' A' ' 19' ' ' ARG . 0.2 OUTLIER -64.15 -15.82 60.6 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.228 178.676 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.833 ' O ' HD23 ' A' ' 20' ' ' LEU . 12.8 tp10 -82.6 -33.78 27.87 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.041 179.887 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.923 HG23 ' O ' ' A' ' 13' ' ' HIS . 1.1 pp -74.57 -36.43 41.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 CA-C-O 120.928 0.394 . . . . 0.0 110.554 179.684 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -76.18 -41.53 49.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.403 179.443 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.4 ' CG ' ' O ' ' A' ' 15' ' ' LYS . 1.4 mmp_? -70.94 -26.45 63.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.444 179.565 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.833 HD23 ' O ' ' A' ' 16' ' ' GLU . 1.4 mm? -70.98 -43.47 67.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.99 179.354 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.448 ' HA ' HG21 ' B' ' 24' ' ' ILE . 12.0 tt0 -59.55 -49.29 78.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.651 179.617 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.403 ' O ' ' HE3' ' A' ' 22' ' ' LYS . 0.1 OUTLIER -63.35 -34.29 77.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.936 0.398 . . . . 0.0 110.621 179.837 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -64.85 -34.88 79.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.952 179.896 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.724 HG23 ' O ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -67.67 -42.74 86.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.009 0.433 . . . . 0.0 109.95 179.889 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.405 ' N ' HG13 ' A' ' 24' ' ' ILE . 2.5 tt0 -59.81 -41.57 91.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.306 179.504 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.19 -38.66 83.95 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.235 179.435 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.771 ' HB3' HG22 ' B' ' 17' ' ' ILE . 0.1 OUTLIER -66.36 -28.27 68.52 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.06 179.282 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.479 ' HG2' HD13 ' B' ' 17' ' ' ILE . 32.8 mtpt -72.82 -30.88 64.4 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.672 179.59 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -70.63 -40.63 72.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.673 179.867 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.47 -44.14 75.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.904 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.758 HG21 HG21 ' B' ' 17' ' ' ILE . 5.4 tp -70.35 -25.78 27.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.194 -179.94 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.9 mtpt -79.21 -32.91 44.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.025 179.926 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.8 tttt -78.81 -30.98 45.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 179.946 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.905 HD22 HD12 ' B' ' 10' ' ' ILE . 0.9 OUTLIER -79.22 -30.87 43.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.609 179.913 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.6 mttt -79.04 -35.2 43.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.606 179.755 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 49.9 tp60 -75.81 -30.89 59.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.627 179.831 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 7.8 t -72.77 -26.77 61.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.648 179.77 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -68.73 -32.71 72.69 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.796 179.868 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -63.38 -26.91 68.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.784 179.949 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 68.29 136.13 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.867 179.9 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.4 t0 . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.297 -0.858 . . . . 0.0 110.955 179.96 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.301 0 CA-C-O 120.829 0.347 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 2' ' ' LEU . . . . . 0.536 ' O ' HD23 ' B' ' 2' ' ' LEU . 1.0 OUTLIER -175.83 36.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.827 179.948 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.4 83.92 2.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.21 -37.81 2.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.109 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -59.8 -26.1 65.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.1 -179.868 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 10.3 p-80 -64.51 -34.05 77.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.934 -179.79 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.404 ' O ' HG22 ' B' ' 10' ' ' ILE . 21.8 tt0 -60.87 -38.87 87.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.794 179.755 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -67.0 -54.92 17.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.14 179.44 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.495 ' HG3' ' CE1' ' B' ' 13' ' ' HIS . 0.3 OUTLIER -59.53 -18.5 41.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.28 178.679 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.905 HD12 HD22 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -71.67 -52.72 23.91 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.543 179.908 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 21.2 m -63.08 -29.36 70.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.845 -179.923 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -72.31 -43.36 64.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.314 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 13' ' ' HIS . . . . . 0.915 ' O ' HG23 ' B' ' 17' ' ' ILE . 11.2 m-70 -61.11 -32.65 72.33 Favored 'General case' 0 CA--C 1.519 -0.219 0 C-N-CA 120.914 -0.314 . . . . 0.0 110.437 179.576 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.407 ' O ' HG13 ' B' ' 17' ' ' ILE . . . -65.36 -56.22 13.8 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.247 -179.947 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 15' ' ' LYS . . . . . 0.408 ' O ' ' CG ' ' B' ' 19' ' ' ARG . 0.2 OUTLIER -64.38 -15.68 60.91 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.181 178.688 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.825 ' O ' HD23 ' B' ' 20' ' ' LEU . 12.6 tp10 -82.66 -33.82 27.64 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.964 179.857 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.915 HG23 ' O ' ' B' ' 13' ' ' HIS . 1.1 pp -74.6 -36.54 41.28 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.158 0 CA-C-O 121.002 0.429 . . . . 0.0 110.565 179.739 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -76.37 -40.96 49.7 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.369 179.475 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 19' ' ' ARG . . . . . 0.408 ' CG ' ' O ' ' B' ' 15' ' ' LYS . 1.5 mmp_? -71.28 -26.2 62.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.458 179.501 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.825 HD23 ' O ' ' B' ' 16' ' ' GLU . 1.4 mm? -71.1 -43.7 67.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.004 179.483 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 21' ' ' GLN . . . . . 0.453 ' HA ' HG21 ' A' ' 24' ' ' ILE . 10.9 tt0 -60.39 -47.69 85.0 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.562 179.506 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.59 -31.68 72.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.659 179.737 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 23' ' ' GLU . . . . . 0.409 ' OE1' ' CD1' ' A' ' 20' ' ' LEU . 33.2 tt0 -69.77 -34.15 73.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.08 -179.883 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.717 HG23 ' O ' ' B' ' 20' ' ' LEU . 0.5 OUTLIER -67.67 -42.56 86.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.036 0.446 . . . . 0.0 110.063 179.858 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 25' ' ' GLU . . . . . 0.404 ' N ' HG13 ' B' ' 24' ' ' ILE . 2.4 tt0 -59.99 -41.58 92.37 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.238 179.425 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.13 -38.37 82.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.234 179.388 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 27' ' ' HIS . . . . . 0.789 ' HB3' HG22 ' A' ' 17' ' ' ILE . 0.8 OUTLIER -66.69 -28.28 68.32 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.978 179.31 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.472 ' HG2' HD13 ' A' ' 17' ' ' ILE . 33.0 mtpt -73.02 -30.64 63.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.635 179.694 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -70.8 -40.56 72.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.807 179.729 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.43 -44.2 75.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.803 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.753 HG21 HG21 ' A' ' 17' ' ' ILE . 5.4 tp -70.25 -25.81 28.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.233 -179.943 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 13.9 mtpt -79.21 -32.84 44.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.021 179.92 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 7.8 tttt -78.88 -31.0 45.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.816 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.879 HD22 HD12 ' A' ' 10' ' ' ILE . 0.9 OUTLIER -79.2 -30.95 43.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.586 179.884 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 4.6 mttt -78.96 -35.17 43.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.648 179.733 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 50.3 tp60 -75.85 -30.84 59.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.655 179.789 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 7.9 t -72.89 -26.63 61.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.65 179.745 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -68.78 -32.75 72.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.772 179.862 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -63.43 -26.81 68.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.814 179.958 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 68.27 136.12 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.962 179.964 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 1.4 t0 . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.296 -0.859 . . . . 0.0 110.931 179.958 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.788 0.328 . . . . 0.0 111.059 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.1 tp -126.99 -76.29 0.58 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.941 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 60.27 150.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.969 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.403 ' HA ' ' HG2' ' A' ' 7' ' ' GLU . 0.1 OUTLIER -127.41 20.1 6.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.135 -179.999 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -95.4 -40.61 9.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.96 0.41 . . . . 0.0 110.329 179.65 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.576 ' HA ' HD11 ' B' ' 34' ' ' LEU . 2.0 m-70 -63.03 -42.08 99.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.557 179.727 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.403 ' HG2' ' HA ' ' A' ' 4' ' ' LYS . 0.8 OUTLIER -61.48 -24.68 66.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.357 179.286 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -70.45 -61.21 1.86 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.312 179.592 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.468 ' O ' ' CD2' ' A' ' 13' ' ' HIS . 8.7 mp0 -69.47 -10.77 59.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.738 178.979 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.594 ' O ' ' HB2' ' A' ' 14' ' ' ALA . 39.8 mt -90.15 -26.88 5.19 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.99 179.802 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.13 -29.27 34.84 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.817 179.189 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.495 ' CE1' ' CE1' ' A' ' 13' ' ' HIS . 0.1 OUTLIER -79.39 -48.58 13.76 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.763 179.481 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.495 ' CE1' ' CE1' ' A' ' 12' ' ' HIS . 19.4 m-70 -68.33 -27.13 66.01 Favored 'General case' 0 N--CA 1.457 -0.106 0 C-N-CA 120.523 -0.471 . . . . 0.0 109.911 178.802 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.594 ' HB2' ' O ' ' A' ' 10' ' ' ILE . . . -67.82 -46.0 73.1 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.322 179.795 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.413 ' O ' ' CB ' ' A' ' 19' ' ' ARG . 9.9 tttp -70.99 -20.28 62.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.584 179.328 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.564 ' O ' HD12 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -80.0 -35.63 37.1 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.48 -179.858 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.461 ' C ' HD13 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -79.6 -33.68 15.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.842 0.353 . . . . 0.0 110.587 179.882 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -80.13 -30.84 39.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.495 179.48 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.429 ' O ' ' CG ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -76.7 -38.93 53.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.628 179.779 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.917 ' HB3' HG22 ' B' ' 24' ' ' ILE . 17.6 mt -71.36 -33.97 70.04 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.331 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.417 ' O ' HG13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -63.64 -45.77 88.71 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.948 179.781 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.429 ' CG ' ' O ' ' A' ' 19' ' ' ARG . 6.0 pttt -61.69 -40.87 96.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.939 0.4 . . . . 0.0 110.464 179.737 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.423 ' N ' ' HG3' ' A' ' 22' ' ' LYS . 0.3 OUTLIER -59.69 -42.77 93.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.834 179.681 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.877 HG22 ' HB3' ' B' ' 20' ' ' LEU . 0.7 OUTLIER -63.58 -31.83 54.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 121.064 0.459 . . . . 0.0 110.049 179.771 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.424 ' N ' HG13 ' A' ' 24' ' ' ILE . 4.3 tt0 -61.57 -43.66 98.44 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.184 179.506 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -58.81 -50.84 72.45 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.192 179.308 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.558 ' CE1' ' HG2' ' B' ' 16' ' ' GLU . 7.0 m80 -65.51 -19.44 65.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.492 179.184 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.479 ' HA ' HG22 ' A' ' 31' ' ' ILE . 4.6 ttmt -77.62 -32.53 53.51 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.702 179.826 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -72.8 -39.72 66.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.582 179.929 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.52 -39.7 77.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.832 179.811 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.527 HG22 ' O ' ' A' ' 27' ' ' HIS . 7.2 tp -74.53 -26.66 20.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.205 -179.957 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.2 ttmt -79.99 -29.79 39.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.761 179.896 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.3 tptt -76.94 -36.82 56.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.608 179.779 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.582 HD11 ' HA ' ' B' ' 6' ' ' HIS . 0.0 OUTLIER -73.51 -37.73 65.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.766 179.786 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -77.58 -27.48 51.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.577 179.8 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.419 ' O ' ' N ' ' A' ' 40' ' ' ASP . 70.9 mt-30 -78.29 -26.59 47.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.645 179.829 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 63.2 p -72.99 -31.18 64.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.907 179.903 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -73.1 -26.4 61.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.82 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -138.37 40.49 2.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.84 179.924 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.419 ' N ' ' O ' ' A' ' 36' ' ' GLN . 26.5 t0 -65.29 148.47 51.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 -179.915 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.276 -0.868 . . . . 0.0 110.984 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.758 0.313 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -127.05 -76.3 0.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 3' ' ' LYS . . . . . 0.4 ' HD3' ' N ' ' B' ' 3' ' ' LYS . 0.1 OUTLIER 60.24 150.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.844 179.962 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 4' ' ' LYS . . . . . 0.411 ' HA ' ' HG2' ' B' ' 7' ' ' GLU . 0.1 OUTLIER -127.51 20.23 6.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.238 179.894 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -95.46 -40.9 9.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.019 0.438 . . . . 0.0 110.374 179.631 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 6' ' ' HIS . . . . . 0.582 ' HA ' HD11 ' A' ' 34' ' ' LEU . 2.0 m-70 -62.84 -42.0 99.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.494 179.727 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.411 ' HG2' ' HA ' ' B' ' 4' ' ' LYS . 0.8 OUTLIER -61.5 -24.73 66.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.799 0.333 . . . . 0.0 110.412 179.314 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -70.33 -60.99 1.95 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.382 179.527 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.463 ' O ' ' CD2' ' B' ' 13' ' ' HIS . 8.6 mp0 -69.59 -10.78 59.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.771 178.941 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.6 ' O ' ' HB2' ' B' ' 14' ' ' ALA . 40.1 mt -90.18 -26.71 5.23 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.047 179.845 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.39 -29.4 33.99 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.869 179.036 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.5 ' CD2' ' OE1' ' B' ' 16' ' ' GLU . 0.1 OUTLIER -79.0 -48.56 14.22 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.846 179.389 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 13' ' ' HIS . . . . . 0.484 ' CE1' ' CE1' ' B' ' 12' ' ' HIS . 17.6 m-70 -68.25 -26.78 65.85 Favored 'General case' 0 CA--C 1.522 -0.103 0 C-N-CA 120.494 -0.482 . . . . 0.0 109.923 178.706 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.6 ' HB2' ' O ' ' B' ' 10' ' ' ILE . . . -68.04 -45.78 72.97 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.379 -179.921 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 15' ' ' LYS . . . . . 0.417 ' O ' ' CB ' ' B' ' 19' ' ' ARG . 9.7 tttp -71.43 -20.12 62.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.526 179.187 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.575 ' O ' HD12 ' B' ' 20' ' ' LEU . 0.0 OUTLIER -80.28 -35.79 35.39 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.54 -179.876 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.457 HD13 ' C ' ' B' ' 17' ' ' ILE . 0.0 OUTLIER -79.89 -33.1 14.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.832 0.349 . . . . 0.0 110.531 179.834 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -80.33 -30.83 38.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.508 179.36 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 19' ' ' ARG . . . . . 0.425 ' O ' ' CG ' ' B' ' 22' ' ' LYS . 0.0 OUTLIER -76.92 -38.67 52.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.708 179.721 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.877 ' HB3' HG22 ' A' ' 24' ' ' ILE . 17.1 mt -71.76 -33.18 68.43 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 179.286 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 21' ' ' GLN . . . . . 0.415 ' O ' HG13 ' B' ' 24' ' ' ILE . 0.0 OUTLIER -64.4 -45.87 85.78 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.833 179.605 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 22' ' ' LYS . . . . . 0.425 ' CG ' ' O ' ' B' ' 19' ' ' ARG . 6.1 pttt -61.58 -40.9 96.44 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.878 0.37 . . . . 0.0 110.444 179.83 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 23' ' ' GLU . . . . . 0.419 ' N ' ' HG3' ' B' ' 22' ' ' LYS . 0.3 OUTLIER -59.6 -43.27 93.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.779 179.69 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.917 HG22 ' HB3' ' A' ' 20' ' ' LEU . 0.7 OUTLIER -63.58 -31.04 51.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.998 0.428 . . . . 0.0 110.029 179.873 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 25' ' ' GLU . . . . . 0.431 ' HA ' ' HE2' ' B' ' 28' ' ' LYS . 4.2 tt0 -62.23 -43.59 98.49 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.139 179.605 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -58.71 -49.79 76.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.041 179.317 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 27' ' ' HIS . . . . . 0.782 ' O ' HG22 ' B' ' 31' ' ' ILE . 7.3 m80 -65.73 -21.17 66.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.67 179.422 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.451 ' HA ' ' CG2' ' B' ' 31' ' ' ILE . 15.6 ttpt -75.83 -33.57 60.07 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.546 179.652 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -71.5 -38.33 71.17 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.492 179.933 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.22 -41.78 69.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.168 179.892 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.782 HG22 ' O ' ' B' ' 27' ' ' HIS . 4.5 tp -74.65 -23.96 18.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.139 -179.942 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 20.4 ttmt -81.58 -31.33 32.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.622 179.524 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -75.65 -36.97 60.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.574 179.692 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.576 HD11 ' HA ' ' A' ' 6' ' ' HIS . 0.0 OUTLIER -72.95 -38.4 66.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.667 179.792 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -76.86 -26.75 54.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.645 179.785 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 36' ' ' GLN . . . . . 0.412 ' O ' ' N ' ' B' ' 40' ' ' ASP . 70.3 mt-30 -78.77 -26.47 44.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.735 179.842 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 63.5 p -72.97 -30.91 64.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.869 179.826 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -73.26 -25.92 60.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -138.75 40.13 2.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 179.904 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 40' ' ' ASP . . . . . 0.412 ' N ' ' O ' ' B' ' 36' ' ' GLN . 25.8 t0 -64.86 148.61 51.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.959 -179.953 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.253 -0.88 . . . . 0.0 110.901 179.963 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.839 0.352 . . . . 0.0 111.079 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.444 ' N ' HD23 ' A' ' 2' ' ' LEU . 0.3 OUTLIER -129.39 101.8 6.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.979 -179.993 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.45 -76.41 0.4 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.825 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.4 mttm 67.45 13.11 9.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.485 179.974 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.633 ' CE1' ' CE1' ' A' ' 6' ' ' HIS . 5.6 p-80 -94.1 -34.4 12.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.976 0.417 . . . . 0.0 110.47 179.695 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.633 ' CE1' ' CE1' ' A' ' 5' ' ' HIS . 0.9 OUTLIER -65.28 -26.34 68.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.443 179.569 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.26 -40.01 71.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.548 179.798 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 56.2 m-80 -62.4 -46.04 90.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.394 179.526 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -59.72 -48.9 79.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.324 179.584 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.501 ' HB ' HD12 ' B' ' 31' ' ' ILE . 12.6 pt -70.84 -13.74 17.37 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.382 178.894 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.5 p -68.73 -41.59 78.79 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 178.02 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -68.92 -44.93 72.11 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.568 178.765 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.684 ' HB2' HD13 ' B' ' 31' ' ' ILE . 9.2 m-70 -60.55 -27.54 67.75 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.241 179.239 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.11 -47.73 70.27 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.873 179.587 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.68 -17.52 64.61 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.255 178.716 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.482 ' HB3' ' CE1' ' B' ' 27' ' ' HIS . 25.7 mm-40 -77.15 -47.79 19.42 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.433 -179.846 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.714 HD12 ' CB ' ' B' ' 28' ' ' LYS . 3.4 tt -73.84 -28.16 23.79 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-O 120.921 0.391 . . . . 0.0 110.644 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -79.34 -32.2 43.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.227 179.371 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 37.7 ttt180 -70.03 -45.0 68.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.542 179.567 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.931 ' CB ' HG22 ' B' ' 24' ' ' ILE . 4.1 mt -66.07 -38.22 87.77 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.108 179.498 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.408 ' O ' HG13 ' A' ' 24' ' ' ILE . 9.4 tt0 -62.28 -34.24 76.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.547 179.673 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.7 ttmt -63.88 -50.63 68.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.431 179.513 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -56.55 -42.8 79.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.834 179.721 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.918 HG22 ' CB ' ' B' ' 20' ' ' LEU . 0.6 OUTLIER -64.19 -30.06 49.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.813 179.696 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.426 ' HA ' ' HG2' ' A' ' 28' ' ' LYS . 5.2 tt0 -60.99 -46.29 91.33 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.112 179.47 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 63.3 ttt180 -58.5 -46.05 87.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.126 0.489 . . . . 0.0 110.045 179.217 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.738 ' O ' HG22 ' A' ' 31' ' ' ILE . 0.3 OUTLIER -66.62 -21.53 66.12 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.994 179.518 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.729 ' CB ' HD12 ' B' ' 17' ' ' ILE . 0.0 OUTLIER -80.93 -25.94 37.08 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.836 0.35 . . . . 0.0 110.744 -179.993 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -73.81 -43.15 59.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.148 179.602 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.23 -49.21 68.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.663 179.577 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.738 HG22 ' O ' ' A' ' 27' ' ' HIS . 4.3 tp -67.9 -27.37 37.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.173 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.434 ' HA ' ' CG ' ' A' ' 35' ' ' LYS . 21.2 ttmt -79.21 -21.14 46.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.981 179.784 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -81.87 -38.09 25.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.351 -179.807 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.488 ' CB ' ' CG2' ' B' ' 10' ' ' ILE . 21.7 mt -81.28 -27.05 35.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.814 0.34 . . . . 0.0 110.717 -179.915 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.434 ' CG ' ' HA ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -86.52 -25.64 24.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.66 179.67 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.423 ' CB ' ' O ' ' A' ' 32' ' ' LYS . 0.3 OUTLIER -86.18 -26.2 25.25 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.643 179.721 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.1 t -85.19 -31.18 23.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.817 179.896 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.44 -25.19 25.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 179.836 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -97.84 -23.52 15.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.015 179.919 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 56.34 103.02 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.915 -179.983 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.8 t0 . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.889 179.961 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.785 0.326 . . . . 0.0 111.079 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' B' B ' 2' ' ' LEU . . . . . 0.451 HD23 ' N ' ' B' ' 2' ' ' LEU . 0.3 OUTLIER -129.39 101.75 6.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.981 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.24 -76.52 0.41 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.872 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 5.5 mttm 67.51 12.88 9.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.57 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 5' ' ' HIS . . . . . 0.636 ' CE1' ' CE1' ' B' ' 6' ' ' HIS . 5.5 p-80 -93.97 -34.43 13.06 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.009 0.433 . . . . 0.0 110.503 179.68 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 6' ' ' HIS . . . . . 0.636 ' CE1' ' CE1' ' B' ' 5' ' ' HIS . 0.9 OUTLIER -65.16 -26.42 68.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.518 179.524 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.14 -39.83 71.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.6 179.714 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 56.4 m-80 -62.62 -45.89 90.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.404 179.578 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -59.65 -48.8 80.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.332 179.497 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.488 ' CG2' ' CB ' ' A' ' 34' ' ' LEU . 12.6 pt -70.9 -13.88 17.49 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.437 178.861 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 3.6 p -68.97 -41.42 77.94 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 178.056 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -68.9 -45.81 69.94 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.603 178.732 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 13' ' ' HIS . . . . . 0.697 ' HB2' HD13 ' A' ' 31' ' ' ILE . 9.2 m-70 -59.98 -27.75 67.1 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.234 179.158 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.46 -48.07 71.08 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.876 179.701 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.36 -17.32 64.7 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.285 178.566 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.486 ' HB3' ' CE1' ' A' ' 27' ' ' HIS . 25.7 mm-40 -77.21 -47.54 19.97 Favored 'General case' 0 CA--C 1.528 0.113 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.582 -179.904 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.729 HD12 ' CB ' ' A' ' 28' ' ' LYS . 3.4 tt -74.1 -28.15 23.09 Favored 'Isoleucine or valine' 0 C--O 1.231 0.124 0 CA-C-O 120.93 0.395 . . . . 0.0 110.598 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -79.24 -32.26 43.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.263 179.344 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 37.3 ttt180 -70.19 -45.08 67.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.505 179.62 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.918 ' CB ' HG22 ' A' ' 24' ' ' ILE . 4.2 mt -65.9 -38.26 88.27 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.074 179.474 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 21' ' ' GLN . . . . . 0.409 ' O ' HG13 ' B' ' 24' ' ' ILE . 9.4 tt0 -62.27 -34.35 76.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.591 179.63 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 13.6 ttmt -63.77 -50.41 69.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.488 179.555 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -56.86 -42.71 80.21 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.835 179.672 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.931 HG22 ' CB ' ' A' ' 20' ' ' LEU . 0.6 OUTLIER -64.18 -29.67 47.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.066 0.46 . . . . 0.0 109.81 179.7 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' B' B ' 25' ' ' GLU . . . . . 0.432 ' HA ' ' HG2' ' B' ' 28' ' ' LYS . 5.2 tt0 -61.57 -46.77 88.45 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.125 179.522 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 62.5 ttt180 -57.95 -45.99 85.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.101 0.477 . . . . 0.0 110.032 179.22 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 27' ' ' HIS . . . . . 0.814 ' O ' HG22 ' B' ' 31' ' ' ILE . 0.3 OUTLIER -66.55 -22.56 66.15 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.894 179.589 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.714 ' CB ' HD12 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -79.69 -26.27 41.0 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.804 0.335 . . . . 0.0 110.793 -179.962 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -73.77 -42.74 60.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.255 179.619 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.81 -47.74 71.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.866 179.667 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.814 HG22 ' O ' ' B' ' 27' ' ' HIS . 3.6 tp -69.82 -26.7 30.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.985 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 32' ' ' LYS . . . . . 0.437 ' HA ' ' CG ' ' B' ' 35' ' ' LYS . 21.0 ttmt -79.41 -21.28 45.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 179.674 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -81.68 -38.51 25.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.236 -179.768 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.48 ' CB ' ' CG2' ' A' ' 10' ' ' ILE . 21.7 mt -80.83 -27.17 36.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.814 0.34 . . . . 0.0 110.803 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 35' ' ' LYS . . . . . 0.437 ' CG ' ' HA ' ' B' ' 32' ' ' LYS . 0.0 OUTLIER -86.41 -25.58 25.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.691 179.622 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' B' B ' 36' ' ' GLN . . . . . 0.42 ' CB ' ' O ' ' B' ' 32' ' ' LYS . 0.3 OUTLIER -86.2 -26.11 25.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.667 179.731 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 8.1 t -85.19 -31.18 23.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.737 179.944 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.48 -25.32 25.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.843 179.823 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -97.67 -23.37 15.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.98 179.938 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 56.08 103.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.919 -179.96 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 26.7 t0 . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.193 -0.908 . . . . 0.0 110.934 179.957 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.829 0.347 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.0 tp -178.07 91.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.983 179.977 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? 60.28 118.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.95 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.62 19.09 19.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.33 179.965 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.407 ' ND1' ' N ' ' A' ' 5' ' ' HIS . 1.1 m-70 -92.26 -61.51 1.6 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.975 0.417 . . . . 0.0 110.476 179.67 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -59.38 -23.13 62.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.651 179.545 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.862 ' OE1' HD11 ' A' ' 10' ' ' ILE . 2.0 tp10 -72.02 -43.01 65.7 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.596 179.789 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -60.39 -45.19 94.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.33 179.588 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.73 -50.64 73.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.284 179.507 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.862 HD11 ' OE1' ' A' ' 7' ' ' GLU . 12.0 pt -69.4 -12.63 16.28 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 C-N-CA 120.654 -0.418 . . . . 0.0 110.506 178.92 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.3 -41.77 72.9 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 178.13 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.571 ' CD2' ' CE1' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -70.96 -39.45 72.55 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.016 179.127 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.639 ' HB2' HD13 ' B' ' 31' ' ' ILE . 3.4 m-70 -66.22 -27.21 67.79 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-O 120.751 0.31 . . . . 0.0 110.272 179.127 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.8 -49.01 64.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.085 179.793 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 47.8 mttm -67.46 -20.42 65.48 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.48 179.07 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.463 ' O ' HD23 ' A' ' 20' ' ' LEU . 6.9 mm-40 -77.09 -42.03 39.78 Favored 'General case' 0 C--N 1.334 -0.09 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.598 -179.752 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.861 ' O ' HD13 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -77.93 -25.88 14.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.851 0.358 . . . . 0.0 110.604 179.883 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -80.07 -32.5 39.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.131 179.281 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.7 ttp85 -72.74 -47.49 46.47 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.299 179.453 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.888 ' HB3' HG22 ' B' ' 24' ' ' ILE . 2.9 mm? -65.05 -37.71 88.46 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.729 179.224 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.406 ' O ' HG13 ' A' ' 24' ' ' ILE . 1.0 OUTLIER -62.34 -35.12 78.11 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.328 179.453 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.6 ttpt -61.46 -51.02 70.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.392 179.602 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -56.86 -44.17 81.92 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.674 179.734 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.905 HG22 ' HB3' ' B' ' 20' ' ' LEU . 0.7 OUTLIER -62.66 -29.09 46.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.701 179.633 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -67.27 -36.21 81.11 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.301 179.689 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.48 -53.63 51.94 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.828 179.279 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.62 ' O ' HG22 ' A' ' 31' ' ' ILE . 0.2 OUTLIER -64.79 -23.49 67.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.049 178.875 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.489 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 23.4 ttmt -77.81 -24.71 48.67 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.97 179.805 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -75.5 -42.95 51.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.382 179.748 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 50.7 m -66.37 -43.89 84.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.875 179.764 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.62 HG22 ' O ' ' A' ' 27' ' ' HIS . 4.0 tp -70.18 -32.7 51.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.161 -179.9 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.41 ' O ' ' CG ' ' A' ' 36' ' ' GLN . 0.8 OUTLIER -76.66 -19.46 57.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.825 179.423 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.17 -41.08 25.99 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.263 -179.768 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.482 ' CB ' ' CG2' ' B' ' 10' ' ' ILE . 14.0 mt -80.41 -24.31 39.75 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.813 0.339 . . . . 0.0 110.708 179.983 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.4 ttmt -85.58 -26.4 26.15 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.556 179.588 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.41 ' CG ' ' O ' ' A' ' 32' ' ' LYS . 42.0 mt-30 -81.66 -33.34 31.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.704 179.689 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 58.7 m -74.98 -25.72 59.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.749 179.861 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -76.51 -27.24 55.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.865 179.918 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -130.72 27.21 4.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.992 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -59.0 150.34 24.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.931 -179.983 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.209 -0.9 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.803 0.335 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 5.1 tp -178.1 91.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? 60.24 118.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.53 18.99 19.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.306 179.949 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -92.2 -61.49 1.6 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.007 0.432 . . . . 0.0 110.458 179.697 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -59.38 -23.26 62.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.64 179.547 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.872 ' OE1' HD11 ' B' ' 10' ' ' ILE . 2.1 tp10 -71.93 -43.04 65.91 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.586 179.878 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -60.37 -45.38 93.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.329 179.552 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.6 -50.4 74.02 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.276 179.612 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.872 HD11 ' OE1' ' B' ' 7' ' ' GLU . 11.7 pt -69.17 -13.36 17.17 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.499 178.968 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.78 -41.7 74.79 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 178.216 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.575 ' CD2' ' CE1' ' B' ' 13' ' ' HIS . 0.0 OUTLIER -71.27 -39.3 71.63 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.961 179.1 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' B' B ' 13' ' ' HIS . . . . . 0.575 ' CE1' ' CD2' ' B' ' 12' ' ' HIS . 3.5 m-70 -66.3 -26.71 67.44 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-O 120.779 0.323 . . . . 0.0 110.284 179.034 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.6 -49.07 62.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.145 179.829 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 47.6 mttm -67.27 -20.69 65.68 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.454 179.001 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.466 ' CB ' ' CE1' ' A' ' 27' ' ' HIS . 7.0 mm-40 -76.64 -42.51 41.81 Favored 'General case' 0 CA--C 1.527 0.093 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.532 -179.883 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.845 HD13 ' O ' ' B' ' 17' ' ' ILE . 0.0 OUTLIER -77.4 -25.92 15.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.832 0.349 . . . . 0.0 110.647 179.913 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -80.0 -32.56 39.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.245 179.32 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 4.7 ttp85 -72.59 -47.37 48.47 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.311 179.458 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.905 ' HB3' HG22 ' A' ' 24' ' ' ILE . 2.9 mm? -65.34 -37.59 87.55 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.728 179.32 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 21' ' ' GLN . . . . . 0.408 ' O ' HG13 ' B' ' 24' ' ' ILE . 1.0 OUTLIER -62.22 -35.32 78.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.296 179.392 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 14.6 ttpt -61.38 -51.12 70.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.423 179.635 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -56.72 -44.1 81.28 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.756 179.657 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.888 HG22 ' HB3' ' A' ' 20' ' ' LEU . 0.7 OUTLIER -62.56 -29.36 46.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.656 179.637 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -67.03 -36.29 81.75 Favored 'General case' 0 N--CA 1.456 -0.144 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.341 179.704 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.38 -53.44 54.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.906 179.3 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 27' ' ' HIS . . . . . 0.486 ' O ' HG22 ' B' ' 31' ' ' ILE . 0.2 OUTLIER -65.14 -22.99 67.0 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.142 178.79 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.481 ' HA ' ' CG2' ' B' ' 31' ' ' ILE . 22.9 ttmt -78.63 -23.91 45.58 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.969 179.838 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -76.23 -43.54 41.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.321 179.726 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 51.6 m -65.32 -44.81 86.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.734 179.538 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.639 HD13 ' HB2' ' A' ' 13' ' ' HIS . 5.1 tp -68.16 -35.41 71.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.284 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 32' ' ' LYS . . . . . 0.421 ' O ' ' CG ' ' B' ' 36' ' ' GLN . 0.8 OUTLIER -74.62 -19.15 60.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.698 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.47 -40.81 25.53 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.289 -179.758 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.49 ' CB ' ' CG2' ' A' ' 10' ' ' ILE . 14.1 mt -80.7 -23.93 39.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.783 0.325 . . . . 0.0 110.69 179.939 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 14.4 ttmt -85.96 -26.58 25.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.461 179.637 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 36' ' ' GLN . . . . . 0.421 ' CG ' ' O ' ' B' ' 32' ' ' LYS . 42.2 mt-30 -81.64 -33.43 31.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.591 179.756 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 58.7 m -74.9 -25.66 59.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.738 179.88 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -76.79 -27.12 55.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.895 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -130.72 27.19 4.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -59.06 150.42 24.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.973 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.422 ' O ' HD12 ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.761 0.315 . . . . 0.0 111.056 . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.422 HD12 ' O ' ' A' ' 1' ' ' ALA . 0.3 OUTLIER -155.21 -79.06 0.09 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 180.0 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.459 ' CD ' ' CG ' ' B' ' 38' ' ' GLU . 0.0 OUTLIER 63.43 143.75 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.969 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.65 -49.25 3.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.427 ' HA ' ' ND2' ' A' ' 8' ' ' ASN . 3.9 p80 -52.76 -45.27 67.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.608 179.89 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.563 ' C ' HD12 ' A' ' 10' ' ' ILE . 1.1 m170 -64.27 -51.93 61.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.663 179.782 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -56.33 -20.63 19.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.83 179.385 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.427 ' ND2' ' HA ' ' A' ' 5' ' ' HIS . 49.5 m-20 -73.2 -60.37 2.27 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.421 179.725 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.449 ' O ' ' CD2' ' A' ' 13' ' ' HIS . 33.2 mt-10 -71.6 -8.57 54.88 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.73 179.066 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.593 ' O ' ' HB2' ' A' ' 14' ' ' ALA . 66.7 mt -91.72 -29.93 4.7 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.937 179.845 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.27 -29.59 48.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.644 179.06 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.421 ' CE1' ' CE1' ' A' ' 13' ' ' HIS . 0.1 OUTLIER -78.17 -51.98 9.41 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.409 179.06 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.669 ' O ' HG23 ' A' ' 17' ' ' ILE . 18.2 m-70 -63.78 -28.04 69.6 Favored 'General case' 0 CA--C 1.52 -0.177 0 C-N-CA 120.528 -0.469 . . . . 0.0 109.863 178.777 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.593 ' HB2' ' O ' ' A' ' 10' ' ' ILE . . . -65.31 -50.18 66.67 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.451 179.735 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.4 mtpm? -58.14 -32.06 67.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.062 179.344 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.602 ' HB3' ' CD2' ' B' ' 27' ' ' HIS . 0.0 OUTLIER -65.25 -51.28 61.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.946 179.794 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.809 HG22 ' HB3' ' B' ' 27' ' ' HIS . 0.9 OUTLIER -62.35 -22.44 29.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.902 -179.98 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -76.16 -37.29 58.12 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.428 179.818 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -65.31 -51.38 60.99 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.199 179.444 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.611 ' CB ' HG22 ' B' ' 24' ' ' ILE . 4.5 mt -59.93 -43.62 94.81 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 179.192 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.411 ' HA ' HG21 ' B' ' 24' ' ' ILE . 0.5 OUTLIER -60.27 -29.31 68.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.354 179.476 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.0 ttpt -62.86 -48.22 79.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.991 179.481 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -59.27 -49.33 78.27 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.66 179.508 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.606 HG22 ' CB ' ' B' ' 20' ' ' LEU . 0.6 OUTLIER -60.37 -26.87 38.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.93 179.68 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -68.98 -35.58 76.88 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.02 179.532 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 11.4 ttt180 -62.01 -48.52 79.93 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.84 179.069 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.831 ' HB3' HG22 ' B' ' 17' ' ' ILE . 0.2 OUTLIER -66.05 -28.61 68.97 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.66 178.852 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.556 ' HA ' HG22 ' A' ' 31' ' ' ILE . 2.0 ttmt -76.65 -19.6 57.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.826 179.621 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.439 ' HA ' ' CD ' ' A' ' 32' ' ' LYS . 9.5 tt0 -78.19 -41.9 33.14 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.855 0.36 . . . . 0.0 110.495 179.845 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.64 -40.27 73.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.849 179.838 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.556 HG22 ' HA ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -74.13 -33.37 35.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.316 -179.769 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.439 ' CD ' ' HA ' ' A' ' 29' ' ' GLN . 12.0 pttt -78.17 -24.48 47.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.748 0.309 . . . . 0.0 110.316 179.449 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.7 mtpt -73.64 -40.66 63.58 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.376 179.494 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.455 HD23 ' CG ' ' B' ' 6' ' ' HIS . 1.0 OUTLIER -68.47 -45.38 72.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.684 179.703 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.9 ttmt -70.87 -25.95 63.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.619 179.697 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -72.61 -32.17 65.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.571 179.707 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 13.1 m -64.21 -26.48 68.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.745 179.78 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.457 ' CG ' ' CD ' ' B' ' 3' ' ' LYS . 0.6 OUTLIER -83.48 -25.57 31.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.893 179.889 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.415 ' O ' ' N ' ' A' ' 41' ' ' ASP . 29.5 t70 -83.02 -23.6 33.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.031 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -48.99 92.41 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.001 179.975 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 39' ' ' ASP . 3.9 p30 . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.938 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 1' ' ' ALA . . . . . 0.421 ' O ' HD12 ' B' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.859 0.361 . . . . 0.0 111.061 . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 2' ' ' LEU . . . . . 0.421 HD12 ' O ' ' B' ' 1' ' ' ALA . 0.3 OUTLIER -155.3 -79.28 0.09 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 179.952 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' B' B ' 3' ' ' LYS . . . . . 0.457 ' CD ' ' CG ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER 63.75 144.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.932 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.93 -49.3 2.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.842 -179.952 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 5' ' ' HIS . . . . . 0.418 ' HA ' ' ND2' ' B' ' 8' ' ' ASN . 3.9 p80 -52.67 -45.33 66.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.592 179.844 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 6' ' ' HIS . . . . . 0.556 ' C ' HD12 ' B' ' 10' ' ' ILE . 1.0 OUTLIER -64.42 -51.91 60.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.586 179.86 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -56.21 -20.65 19.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.785 179.376 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 8' ' ' ASN . . . . . 0.418 ' ND2' ' HA ' ' B' ' 5' ' ' HIS . 47.9 m-20 -73.2 -60.7 2.12 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 120.806 0.336 . . . . 0.0 110.506 179.727 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.468 ' O ' ' CD2' ' B' ' 13' ' ' HIS . 32.3 mt-10 -71.27 -8.78 55.95 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.793 179.001 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.577 ' O ' ' HB2' ' B' ' 14' ' ' ALA . 67.6 mt -91.5 -30.21 4.76 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.006 179.904 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.22 -29.29 48.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.756 179.017 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.418 ' CE1' ' CE1' ' B' ' 13' ' ' HIS . 0.1 OUTLIER -78.31 -51.76 9.64 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.424 179.064 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' B' B ' 13' ' ' HIS . . . . . 0.654 ' O ' HG23 ' B' ' 17' ' ' ILE . 19.0 m-70 -63.89 -28.38 69.8 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 178.841 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.577 ' HB2' ' O ' ' B' ' 10' ' ' ILE . . . -65.1 -50.35 66.43 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.425 179.746 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 3.3 mtpm? -57.63 -32.37 67.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.08 179.369 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.578 ' HB3' ' CD2' ' A' ' 27' ' ' HIS . 0.1 OUTLIER -64.87 -51.77 60.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.982 179.716 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.831 HG22 ' HB3' ' A' ' 27' ' ' HIS . 0.9 OUTLIER -61.84 -22.4 28.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.907 -179.962 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -76.03 -37.41 58.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.468 179.835 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -65.43 -51.53 59.62 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.143 179.437 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.606 ' CB ' HG22 ' A' ' 24' ' ' ILE . 4.4 mt -59.91 -43.12 95.07 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.681 179.184 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 21' ' ' GLN . . . . . 0.402 ' HA ' HG21 ' A' ' 24' ' ' ILE . 0.5 OUTLIER -60.93 -28.98 69.34 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.36 179.413 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 5.0 ttpt -63.1 -47.98 80.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.973 179.435 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -59.47 -49.06 79.25 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.734 179.554 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.611 HG22 ' CB ' ' A' ' 20' ' ' LEU . 0.6 OUTLIER -60.75 -26.83 39.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.854 179.618 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -68.82 -35.68 77.28 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.024 179.507 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 11.3 ttt180 -62.05 -48.39 80.46 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.683 179.074 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 27' ' ' HIS . . . . . 0.809 ' HB3' HG22 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -66.26 -27.94 68.33 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.838 178.864 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.557 ' HA ' HG22 ' B' ' 31' ' ' ILE . 1.9 ttmt -77.64 -19.3 55.67 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.774 179.456 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 29' ' ' GLN . . . . . 0.43 ' HA ' ' CD ' ' B' ' 32' ' ' LYS . 9.6 tt0 -78.39 -41.79 32.16 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.545 179.768 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.63 -40.6 73.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.874 179.729 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.557 HG22 ' HA ' ' B' ' 28' ' ' LYS . 0.0 OUTLIER -73.74 -33.52 38.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.413 -179.838 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' B' B ' 32' ' ' LYS . . . . . 0.43 ' CD ' ' HA ' ' B' ' 29' ' ' GLN . 11.9 pttt -78.02 -24.47 47.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.807 0.337 . . . . 0.0 110.374 179.455 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 9.7 mtpt -73.68 -40.58 63.56 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.281 179.608 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.45 HD23 ' CG ' ' A' ' 6' ' ' HIS . 0.9 OUTLIER -68.55 -45.6 71.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.656 179.728 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 9.8 ttmt -70.68 -25.94 63.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.674 179.673 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -72.56 -32.37 66.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.602 179.674 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 13.8 m -63.92 -26.52 68.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.685 179.749 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 38' ' ' GLU . . . . . 0.459 ' CG ' ' CD ' ' A' ' 3' ' ' LYS . 0.6 OUTLIER -83.51 -25.52 30.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 179.91 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' B' B ' 39' ' ' ASP . . . . . 0.409 ' O ' ' N ' ' B' ' 41' ' ' ASP . 29.6 t70 -83.12 -23.51 33.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.057 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -49.09 92.47 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.968 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 41' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' B' ' 39' ' ' ASP . 3.9 p30 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.958 179.967 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.825 0.345 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 174.36 93.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.433 ' CE ' ' HA ' ' B' ' 38' ' ' GLU . 0.1 OUTLIER -89.61 158.42 17.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.951 179.957 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.6 mmtt -104.78 -53.0 2.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.953 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 3.3 p80 -51.02 -39.6 56.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.709 179.909 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.578 ' C ' HD12 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -61.92 -54.29 43.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.548 179.792 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.4 ' HA ' ' HB ' ' A' ' 10' ' ' ILE . 0.3 OUTLIER -53.64 -22.95 9.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.775 179.493 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -70.89 -60.29 2.32 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.543 179.821 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.468 ' HB2' HD13 ' B' ' 34' ' ' LEU . 3.7 mp0 -71.1 -8.2 51.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.813 178.847 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.578 HD12 ' C ' ' A' ' 6' ' ' HIS . 64.7 mt -91.01 -29.1 4.78 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.025 179.923 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.0 p -80.66 -29.17 36.66 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.736 179.03 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.412 ' O ' ' CG ' ' A' ' 16' ' ' GLU . 0.1 OUTLIER -78.97 -48.45 14.46 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.796 179.345 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.935 ' O ' HG23 ' A' ' 17' ' ' ILE . 14.8 m-70 -66.81 -27.11 67.29 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.085 179.029 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.474 ' HB2' ' O ' ' A' ' 10' ' ' ILE . . . -67.79 -49.65 61.19 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.351 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.0 mmtp -65.98 -22.44 66.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.177 179.075 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.417 ' O ' ' CD1' ' A' ' 20' ' ' LEU . 3.6 mm-40 -76.08 -38.94 56.4 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.179 179.915 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.935 HG23 ' O ' ' A' ' 13' ' ' HIS . 0.9 OUTLIER -72.74 -36.89 54.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-O 120.879 0.371 . . . . 0.0 110.933 -179.858 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -75.56 -26.71 58.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.388 179.527 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.6 ttt-85 -72.57 -45.74 57.74 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.704 179.776 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.795 ' CB ' HG22 ' B' ' 24' ' ' ILE . 1.2 mt -66.0 -37.48 86.03 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.903 0.383 . . . . 0.0 110.245 179.713 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.413 ' O ' HG13 ' A' ' 24' ' ' ILE . 7.6 tt0 -62.86 -38.5 91.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.426 179.557 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.5 ttpt -59.92 -48.92 79.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.351 179.545 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.698 ' OE1' HD22 ' B' ' 20' ' ' LEU . 0.2 OUTLIER -54.63 -44.86 73.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.668 179.744 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.804 HG22 ' CB ' ' B' ' 20' ' ' LEU . 0.7 OUTLIER -61.53 -32.49 53.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 179.621 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.421 ' O ' ' CG ' ' A' ' 28' ' ' LYS . 1.2 tt0 -59.33 -44.7 92.59 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.139 179.46 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.1 ttp85 -60.84 -37.92 83.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.137 0.494 . . . . 0.0 109.99 179.234 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.927 ' HB3' HG22 ' B' ' 17' ' ' ILE . 0.1 OUTLIER -70.9 -23.38 62.27 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.594 179.623 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.477 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 0.0 OUTLIER -78.24 -27.75 47.68 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.946 0.403 . . . . 0.0 110.539 179.805 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.405 ' N ' ' HG3' ' A' ' 28' ' ' LYS . 16.7 tt0 -72.69 -43.68 62.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.254 179.479 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 86.7 p -66.37 -47.7 72.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.748 179.683 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.739 HG22 ' O ' ' A' ' 27' ' ' HIS . 5.9 tp -69.8 -24.62 26.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.092 179.884 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.413 ' CB ' ' O ' ' A' ' 28' ' ' LYS . 6.8 ttmt -78.94 -25.62 43.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.757 179.769 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.6 mtmt -77.01 -43.15 35.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.535 179.711 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.514 HD23 ' CE1' ' B' ' 6' ' ' HIS . 1.6 mt -69.84 -35.11 74.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.692 179.782 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.7 mttm -73.99 -36.16 64.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.655 179.795 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -69.85 -28.47 65.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.692 179.922 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.7 m -69.51 -26.08 64.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 179.885 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.433 ' HA ' ' CE ' ' B' ' 3' ' ' LYS . 2.3 tt0 -83.94 -25.7 29.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 179.961 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.12 -23.71 26.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.031 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.82 100.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.992 -179.926 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.897 -179.979 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.855 0.36 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 174.45 94.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 3' ' ' LYS . . . . . 0.433 ' CE ' ' HA ' ' A' ' 38' ' ' GLU . 0.1 OUTLIER -89.61 158.34 17.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.946 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 3.6 mmtt -104.76 -53.07 2.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.939 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 3.3 p80 -50.89 -39.68 54.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.754 179.852 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 6' ' ' HIS . . . . . 0.583 ' C ' HD12 ' B' ' 10' ' ' ILE . 0.0 OUTLIER -61.95 -54.23 44.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.532 179.868 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.67 -22.96 9.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.762 179.494 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -70.82 -60.34 2.3 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.56 179.779 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.47 ' O ' ' CD2' ' B' ' 13' ' ' HIS . 3.6 mp0 -71.14 -8.13 51.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.791 178.887 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.583 HD12 ' C ' ' B' ' 6' ' ' HIS . 64.7 mt -90.98 -29.18 4.79 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 CA-C-O 121.063 0.458 . . . . 0.0 110.016 179.912 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 12.1 p -80.59 -29.16 36.93 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.771 179.053 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.409 ' CE1' ' CE1' ' B' ' 13' ' ' HIS . 0.1 OUTLIER -79.0 -48.48 14.37 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.806 179.343 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' B' B ' 13' ' ' HIS . . . . . 0.928 ' O ' HG23 ' B' ' 17' ' ' ILE . 14.8 m-70 -66.74 -27.2 67.42 Favored 'General case' 0 CA--C 1.521 -0.169 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.027 179.008 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.468 ' HB2' ' O ' ' B' ' 10' ' ' ILE . . . -67.72 -49.66 61.46 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.422 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 3.0 mmtp -65.97 -22.42 66.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.249 178.981 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.421 ' O ' ' CD1' ' B' ' 20' ' ' LEU . 3.6 mm-40 -76.05 -39.07 56.34 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.154 179.9 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.928 HG23 ' O ' ' B' ' 13' ' ' HIS . 0.9 OUTLIER -72.57 -37.05 55.62 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 CA-C-O 120.851 0.357 . . . . 0.0 110.925 -179.845 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -75.45 -26.76 58.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.414 179.555 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 10.6 ttt-85 -72.61 -45.7 57.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.688 179.777 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.804 ' CB ' HG22 ' A' ' 24' ' ' ILE . 1.2 mt -65.93 -37.59 86.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.967 0.413 . . . . 0.0 110.26 179.667 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 21' ' ' GLN . . . . . 0.413 ' O ' HG13 ' B' ' 24' ' ' ILE . 7.6 tt0 -62.82 -38.43 90.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.421 179.596 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 2.5 ttpt -60.02 -48.85 80.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.364 179.588 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 23' ' ' GLU . . . . . 0.694 ' OE1' HD22 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -54.66 -44.82 73.62 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.669 179.648 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.795 HG22 ' CB ' ' A' ' 20' ' ' LEU . 0.7 OUTLIER -61.6 -32.45 53.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 179.658 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' B' B ' 25' ' ' GLU . . . . . 0.427 ' O ' ' CG ' ' B' ' 28' ' ' LYS . 1.2 tt0 -59.35 -44.7 92.62 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.163 179.439 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 13.1 ttp85 -60.89 -37.94 83.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.956 179.234 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 27' ' ' HIS . . . . . 0.896 ' HB3' HG22 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -70.82 -23.4 62.35 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.622 179.576 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.472 ' HA ' ' CG2' ' B' ' 31' ' ' ILE . 0.0 OUTLIER -78.24 -27.74 47.68 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.916 0.388 . . . . 0.0 110.543 179.805 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -72.68 -43.75 62.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.233 179.478 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 86.5 p -66.36 -47.58 72.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.783 179.673 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.742 HG22 ' O ' ' B' ' 27' ' ' HIS . 5.9 tp -69.89 -24.61 26.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.032 179.883 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 32' ' ' LYS . . . . . 0.406 ' CB ' ' O ' ' B' ' 28' ' ' LYS . 6.8 ttmt -78.91 -25.65 43.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.716 179.763 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 3.6 mtmt -76.96 -43.17 36.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.565 179.753 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.514 HD23 ' CE1' ' A' ' 6' ' ' HIS . 1.6 mt -69.84 -35.08 74.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.729 179.754 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 12.7 mttm -73.97 -36.18 64.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.715 179.737 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -69.8 -28.53 65.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.723 179.897 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 19.9 m -69.52 -26.0 64.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 179.879 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 38' ' ' GLU . . . . . 0.433 ' HA ' ' CE ' ' A' ' 3' ' ' LYS . 2.3 tt0 -83.96 -25.73 29.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 179.966 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.2 -23.64 26.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.992 -179.923 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.87 100.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.999 -179.942 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.309 -0.853 . . . . 0.0 110.863 -179.987 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.782 0.325 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 mp -145.15 -49.42 0.24 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.9 mptt -102.31 171.45 7.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.986 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.34 -51.48 1.97 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.594 ' CE1' ' CD2' ' A' ' 6' ' ' HIS . 1.1 p-80 -50.25 -32.81 17.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.812 179.934 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.594 ' CD2' ' CE1' ' A' ' 5' ' ' HIS . 32.2 m170 -62.71 -57.28 11.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.322 179.769 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.407 ' HA ' ' HB ' ' A' ' 10' ' ' ILE . 6.0 mt-10 -50.79 -24.76 3.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.752 179.344 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.424 ' ND2' ' HA ' ' A' ' 5' ' ' HIS . 2.2 m-20 -68.31 -60.6 2.34 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.595 179.718 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.468 ' O ' ' CD2' ' A' ' 13' ' ' HIS . 1.3 mp0 -69.38 -9.85 55.32 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.827 178.976 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.719 HD11 HD12 ' B' ' 34' ' ' LEU . 76.1 mt -88.96 -28.58 5.23 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.162 179.918 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.83 -30.08 35.82 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.916 179.282 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.482 ' CE1' ' CE1' ' A' ' 13' ' ' HIS . 0.1 OUTLIER -78.53 -46.15 20.19 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.934 179.489 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.917 ' O ' HG23 ' A' ' 17' ' ' ILE . 17.0 m-70 -70.28 -25.52 63.38 Favored 'General case' 0 C--O 1.226 -0.151 0 C-N-CA 120.678 -0.409 . . . . 0.0 110.196 179.018 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.495 ' HB2' ' O ' ' A' ' 10' ' ' ILE . . . -70.75 -44.77 66.08 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.604 -179.883 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 42.0 tttt -68.34 -28.27 67.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.079 0.466 . . . . 0.0 109.941 179.159 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.554 ' HB3' ' CD2' ' B' ' 27' ' ' HIS . 0.1 OUTLIER -69.21 -45.88 68.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.962 179.717 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.963 HG22 ' HB3' ' B' ' 27' ' ' HIS . 0.6 OUTLIER -65.49 -40.81 89.37 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 CA-C-O 120.983 0.42 . . . . 0.0 110.448 -179.957 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -66.21 -25.77 67.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.593 179.472 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.88 -48.52 58.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.118 -179.881 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.744 HD13 HD13 ' B' ' 20' ' ' LEU . 3.3 mm? -71.14 -25.43 62.57 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.805 0.336 . . . . 0.0 110.735 -179.929 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.466 ' HA ' HG22 ' A' ' 24' ' ' ILE . 6.2 tt0 -77.49 -30.53 53.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.463 179.539 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.45 -42.22 71.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.257 179.493 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.458 ' HB3' HD12 ' B' ' 20' ' ' LEU . 0.4 OUTLIER -64.21 -46.99 81.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.639 179.6 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.874 HD13 ' O ' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -63.71 -27.83 43.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.227 179.527 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -63.75 -47.82 79.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.546 179.563 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -63.64 -40.82 97.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.478 179.656 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.936 ' HB3' HG22 ' B' ' 17' ' ' ILE . 0.2 OUTLIER -71.23 -19.66 62.34 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.62 179.399 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.462 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 13.6 ttmm -77.6 -33.52 53.79 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.42 179.655 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -71.81 -39.41 69.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.453 179.612 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.5 p -70.19 -43.73 70.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.049 179.79 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.801 HG22 ' O ' ' A' ' 27' ' ' HIS . 5.2 tp -72.14 -24.53 22.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.047 179.933 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.32 -34.91 48.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.561 179.629 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.7 ttmt -72.57 -32.87 66.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.417 179.581 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.736 HD12 HD11 ' B' ' 10' ' ' ILE . 0.1 OUTLIER -70.54 -43.88 68.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.686 179.636 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 21.8 ttmt -72.31 -26.41 61.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.741 179.867 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -76.63 -28.64 56.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.758 179.856 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.44 -26.07 62.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.841 179.878 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.68 -26.08 54.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.963 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -124.35 26.93 7.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 63.47 172.42 0.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.973 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 33.3 p-10 . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.904 179.988 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.839 0.352 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 mp -145.1 -49.39 0.24 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.923 179.896 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 5.9 mptt -102.34 171.37 7.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 179.976 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.32 -51.43 1.97 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 5' ' ' HIS . . . . . 0.592 ' CE1' ' CD2' ' B' ' 6' ' ' HIS . 1.1 p-80 -50.18 -32.89 17.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.784 179.909 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 6' ' ' HIS . . . . . 0.592 ' CD2' ' CE1' ' B' ' 5' ' ' HIS . 32.4 m170 -62.6 -57.28 11.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.39 179.756 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.409 ' HA ' ' HB ' ' B' ' 10' ' ' ILE . 6.2 mt-10 -50.76 -24.86 3.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.752 179.316 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 8' ' ' ASN . . . . . 0.428 ' ND2' ' HA ' ' B' ' 5' ' ' HIS . 2.2 m-20 -68.3 -60.51 2.4 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.576 179.792 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.469 ' O ' ' CD2' ' B' ' 13' ' ' HIS . 1.3 mp0 -69.38 -9.8 55.11 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.777 178.978 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.736 HD11 HD12 ' A' ' 34' ' ' LEU . 76.7 mt -88.9 -28.68 5.23 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 CA-C-O 121.016 0.436 . . . . 0.0 110.15 179.955 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.83 -30.04 35.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.945 179.298 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.482 ' CE1' ' CE1' ' B' ' 13' ' ' HIS . 0.1 OUTLIER -78.61 -46.03 20.24 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.898 179.55 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' B' B ' 13' ' ' HIS . . . . . 0.934 ' O ' HG23 ' B' ' 17' ' ' ILE . 17.0 m-70 -70.25 -25.6 63.44 Favored 'General case' 0 C--O 1.225 -0.208 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.26 178.942 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.487 ' HB2' ' O ' ' B' ' 10' ' ' ILE . . . -70.88 -44.54 66.1 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.616 -179.822 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 41.7 tttt -68.49 -28.2 66.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.024 0.44 . . . . 0.0 109.961 179.161 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.556 ' HB3' ' CD2' ' A' ' 27' ' ' HIS . 0.1 OUTLIER -69.23 -46.05 68.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.949 179.717 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.936 HG22 ' HB3' ' A' ' 27' ' ' HIS . 0.6 OUTLIER -65.34 -40.79 89.59 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.175 0 CA-C-O 121.001 0.429 . . . . 0.0 110.427 -179.978 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -66.32 -25.72 66.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.617 179.476 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.84 -48.42 58.99 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.16 -179.998 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.744 HD13 HD13 ' A' ' 20' ' ' LEU . 3.2 mm? -71.21 -25.42 62.5 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.841 0.353 . . . . 0.0 110.747 -179.92 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 21' ' ' GLN . . . . . 0.471 ' HA ' HG22 ' B' ' 24' ' ' ILE . 6.3 tt0 -77.49 -30.62 53.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.45 179.516 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.42 -42.28 71.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.207 179.485 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 23' ' ' GLU . . . . . 0.452 ' HB3' HD12 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -64.23 -46.99 81.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.592 179.664 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.852 HD13 ' O ' ' B' ' 24' ' ' ILE . 0.0 OUTLIER -63.7 -27.71 43.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.861 0.362 . . . . 0.0 110.309 179.474 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -63.9 -47.73 79.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.472 179.553 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -63.64 -40.83 97.85 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.513 179.642 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 27' ' ' HIS . . . . . 0.963 ' HB3' HG22 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -71.16 -19.82 62.37 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.574 179.378 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.458 ' HA ' ' CG2' ' B' ' 31' ' ' ILE . 13.6 ttmm -77.37 -33.55 55.23 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.498 179.682 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -71.8 -39.43 69.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.474 179.616 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 10.7 p -70.3 -43.46 70.32 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.006 179.843 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.817 HG22 ' O ' ' B' ' 27' ' ' HIS . 5.2 tp -72.38 -24.54 22.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.05 179.977 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.37 -34.96 47.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.543 179.604 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 26.8 ttmt -72.55 -32.94 66.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.391 179.57 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.719 HD12 HD11 ' A' ' 10' ' ' ILE . 0.1 OUTLIER -70.55 -43.85 68.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.654 179.699 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 21.9 ttmt -72.34 -26.37 61.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.751 179.866 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -76.75 -28.49 55.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.705 179.884 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.58 -26.04 62.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.825 179.938 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.7 -26.01 54.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 179.947 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -124.36 26.94 7.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.952 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 63.44 172.42 0.16 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.978 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 33.3 p-10 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.933 179.968 . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.413 0 CA-C-O 120.811 0.338 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.3 tp -113.29 124.63 52.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.52 112.93 24.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.962 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -111.39 -49.82 2.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 6.9 p-80 -59.07 -28.68 66.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.963 -179.999 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.76 -43.03 73.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.918 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.402 ' O ' HG12 ' A' ' 10' ' ' ILE . 4.6 mm-40 -66.01 -30.57 71.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.77 179.996 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 35.9 t30 -69.26 -45.96 68.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.281 179.622 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.47 -44.7 92.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.637 179.626 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.501 ' HA ' ' CD2' ' A' ' 13' ' ' HIS . 17.4 pt -70.22 -21.84 23.79 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.51 179.38 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.8 t -65.81 -40.38 91.83 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 178.568 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -72.23 -33.42 67.54 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.874 179.203 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.941 ' O ' HG23 ' A' ' 17' ' ' ILE . 9.3 m-70 -66.75 -31.97 72.97 Favored 'General case' 0 C--O 1.225 -0.202 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.806 179.644 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.27 -53.14 21.3 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 179.954 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.401 ' O ' ' CG ' ' A' ' 19' ' ' ARG . 2.7 mmtt -65.74 -15.23 62.64 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.296 178.724 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.499 ' HG2' ' CE1' ' B' ' 27' ' ' HIS . 16.7 tp10 -82.87 -37.75 23.88 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.942 179.792 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.941 HG23 ' O ' ' A' ' 13' ' ' HIS . 1.0 OUTLIER -73.28 -37.62 52.22 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 CA-C-O 120.892 0.377 . . . . 0.0 110.706 179.814 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -75.05 -36.05 61.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.569 179.655 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.407 ' O ' ' CG ' ' A' ' 22' ' ' LYS . 1.1 mmm-85 -71.24 -32.98 69.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.716 179.835 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.891 ' HB3' HG22 ' B' ' 24' ' ' ILE . 17.9 mt -70.18 -39.02 75.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.211 179.579 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.403 ' O ' HG13 ' A' ' 24' ' ' ILE . 1.0 OUTLIER -62.29 -45.23 94.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.939 179.846 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.407 ' CG ' ' O ' ' A' ' 19' ' ' ARG . 1.8 ptmt -63.82 -34.2 77.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.848 0.356 . . . . 0.0 110.737 179.945 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -67.27 -37.9 84.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.111 179.896 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.876 HG22 ' HB3' ' B' ' 20' ' ' LEU . 0.5 OUTLIER -64.62 -40.5 89.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.11 0.481 . . . . 0.0 110.212 179.848 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.413 ' N ' HG13 ' A' ' 24' ' ' ILE . 7.9 tt0 -61.12 -41.5 96.82 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.52 179.627 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.4 ttt85 -57.49 -44.14 84.72 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.978 179.374 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.925 ' HB3' HG22 ' B' ' 17' ' ' ILE . 0.2 OUTLIER -69.13 -24.73 64.13 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.922 178.985 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.473 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 17.2 ttmt -73.09 -26.89 61.42 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.822 179.826 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -77.04 -42.5 38.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.456 179.694 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.06 -40.64 87.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.01 179.886 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.76 HG22 ' O ' ' A' ' 27' ' ' HIS . 3.9 tp -71.34 -35.67 58.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 -179.924 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.442 ' HA ' ' CG ' ' A' ' 35' ' ' LYS . 6.5 ttpp -74.71 -20.63 59.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.975 179.751 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.7 tttp -81.53 -38.34 26.38 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.504 -179.591 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.488 HD13 HG22 ' B' ' 10' ' ' ILE . 9.8 mt -80.57 -24.38 39.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.814 0.34 . . . . 0.0 110.775 -179.974 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.442 ' CG ' ' HA ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -84.9 -30.23 24.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.571 179.641 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.421 ' HG2' ' HD2' ' A' ' 35' ' ' LYS . 1.9 mt-30 -79.99 -31.47 39.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.678 179.691 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.3 t -76.01 -26.49 56.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.738 179.906 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -74.18 -26.73 60.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.876 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -77.92 -25.42 48.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 179.902 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 67.51 161.52 0.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 179.919 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.938 -179.991 . . . . . . . . 0 0 . 1 . 031 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.866 0.365 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 3.3 tp -113.32 124.55 52.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 -179.992 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.48 113.06 24.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 -179.953 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -111.45 -49.79 2.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 179.986 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 6.8 p-80 -59.04 -28.79 66.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 179.981 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.76 -42.95 73.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.914 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.409 ' O ' HG12 ' B' ' 10' ' ' ILE . 4.6 mm-40 -66.1 -30.51 71.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.781 -180.0 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 35.6 t30 -69.19 -46.09 68.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.359 179.537 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.45 -44.79 92.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.519 179.676 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.503 ' HA ' ' CD2' ' B' ' 13' ' ' HIS . 17.4 pt -70.16 -21.84 23.89 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 C-N-CA 120.804 -0.359 . . . . 0.0 110.563 179.417 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 2.8 t -65.78 -40.44 92.0 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 178.597 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -72.18 -33.51 67.73 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.875 179.235 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 13' ' ' HIS . . . . . 0.94 ' O ' HG23 ' B' ' 17' ' ' ILE . 9.3 m-70 -66.65 -31.94 72.95 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.847 179.653 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.35 -53.09 21.28 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 179.962 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt -65.66 -15.42 62.76 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.319 178.686 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.5 ' HG2' ' CE1' ' A' ' 27' ' ' HIS . 16.7 tp10 -82.61 -37.89 24.36 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.957 179.776 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.94 HG23 ' O ' ' B' ' 13' ' ' HIS . 1.0 OUTLIER -73.36 -37.4 51.24 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 CA-C-O 120.931 0.396 . . . . 0.0 110.789 179.883 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -75.22 -35.56 61.46 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.604 179.603 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 19' ' ' ARG . . . . . 0.412 ' O ' ' CG ' ' B' ' 22' ' ' LYS . 1.1 mmm-85 -71.6 -33.15 68.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.686 179.844 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.876 ' HB3' HG22 ' A' ' 24' ' ' ILE . 17.1 mt -70.38 -38.57 74.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.123 179.496 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 21' ' ' GLN . . . . . 0.406 ' O ' HG13 ' B' ' 24' ' ' ILE . 0.2 OUTLIER -61.43 -46.29 90.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.78 179.669 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' B' B ' 22' ' ' LYS . . . . . 0.412 ' CG ' ' O ' ' B' ' 19' ' ' ARG . 1.8 ptmt -63.93 -34.18 77.4 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 180.0 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -67.15 -37.63 84.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.079 179.991 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.891 HG22 ' HB3' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -65.0 -40.56 89.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.959 0.409 . . . . 0.0 110.074 179.899 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' B' B ' 25' ' ' GLU . . . . . 0.414 ' N ' HG13 ' B' ' 24' ' ' ILE . 7.9 tt0 -60.97 -41.55 96.61 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.541 179.661 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 1.4 ttt85 -57.58 -44.19 85.13 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.046 179.395 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 27' ' ' HIS . . . . . 0.88 ' HB3' HG22 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -69.07 -24.68 64.19 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.86 178.976 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.491 ' HA ' ' CG2' ' B' ' 31' ' ' ILE . 17.3 ttmt -73.13 -26.9 61.4 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.828 179.867 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -77.0 -42.55 38.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.461 179.689 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.05 -40.5 87.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.046 179.877 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.775 HG22 ' O ' ' B' ' 27' ' ' HIS . 3.8 tp -71.33 -35.8 58.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 32' ' ' LYS . . . . . 0.435 ' HA ' ' CG ' ' B' ' 35' ' ' LYS . 6.5 ttpp -74.59 -20.67 59.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.073 179.763 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 14.7 tttp -81.47 -38.45 26.34 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.488 -179.602 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.472 HD13 HG22 ' A' ' 10' ' ' ILE . 9.8 mt -80.65 -24.21 39.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.771 0.32 . . . . 0.0 110.804 -179.949 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 35' ' ' LYS . . . . . 0.435 ' CG ' ' HA ' ' B' ' 32' ' ' LYS . 0.0 OUTLIER -84.95 -30.25 24.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.554 179.578 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' B' B ' 36' ' ' GLN . . . . . 0.418 ' HG2' ' HD2' ' B' ' 35' ' ' LYS . 1.9 mt-30 -80.04 -31.44 39.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.64 179.745 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 2.3 t -76.02 -26.49 56.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.732 179.898 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -74.2 -26.76 60.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.816 179.961 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -77.83 -25.47 48.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.919 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 67.42 161.51 0.17 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.957 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.91 -179.97 . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.765 0.317 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -136.09 25.75 3.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.96 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.65 142.68 33.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 -179.992 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -98.33 -68.4 0.8 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.928 179.961 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 3.9 p80 -51.26 -40.73 59.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.955 0.407 . . . . 0.0 110.677 179.818 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 1.061 ' CD2' HD11 ' B' ' 34' ' ' LEU . 0.4 OUTLIER -61.94 -39.47 92.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.781 179.752 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.428 ' HG3' HD11 ' A' ' 10' ' ' ILE . 0.8 OUTLIER -67.3 -29.35 68.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.568 179.829 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -65.02 -47.27 78.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.033 179.458 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.46 -54.62 44.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.392 179.507 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.79 HG21 ' HB3' ' B' ' 34' ' ' LEU . 18.6 pt -60.75 -24.11 31.19 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.407 179.329 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.27 -45.99 91.38 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 178.817 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -66.28 -33.88 76.75 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.663 179.073 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.587 ' O ' HG22 ' A' ' 17' ' ' ILE . 10.2 m-70 -73.55 -18.13 61.11 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.121 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.54 -40.18 30.15 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-O 120.909 0.385 . . . . 0.0 110.662 -179.777 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.71 -25.08 49.1 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.423 179.249 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.29 -38.03 31.58 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.835 179.699 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.846 ' O ' HD13 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -76.03 -34.74 27.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.718 179.719 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -78.46 -27.79 46.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.882 0.372 . . . . 0.0 110.826 179.79 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.2 ttt85 -80.31 -34.64 36.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.35 -179.77 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.555 ' O ' HG22 ' A' ' 24' ' ' ILE . 89.5 mt -79.73 -26.41 40.79 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 179.995 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.433 ' HB2' HG13 ' B' ' 24' ' ' ILE . 0.6 OUTLIER -75.0 -39.01 61.44 Favored 'General case' 0 C--N 1.333 -0.136 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 178.575 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.9 ttpt -61.94 -46.9 87.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.163 179.257 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.95 -51.57 69.48 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.506 179.57 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.705 HD13 ' O ' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -64.84 -19.0 24.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.927 179.516 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -71.17 -39.41 71.91 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.079 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.3 mtp180 -66.08 -49.2 68.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.221 179.259 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.835 ' O ' HG22 ' A' ' 31' ' ' ILE . 3.2 m-70 -66.43 -23.89 66.37 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.319 179.256 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.464 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 0.7 OUTLIER -78.22 -24.82 46.86 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.045 179.975 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -78.4 -38.18 42.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.481 179.725 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.22 -42.91 62.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.71 179.721 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.835 HG22 ' O ' ' A' ' 27' ' ' HIS . 4.3 tp -73.23 -30.9 32.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.942 179.938 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.423 ' CB ' ' O ' ' A' ' 28' ' ' LYS . 3.5 ttpm? -79.56 -23.43 42.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.5 179.274 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.1 ttmt -75.69 -40.0 56.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.001 179.92 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 1.065 HD11 ' CD2' ' B' ' 6' ' ' HIS . 0.1 OUTLIER -77.97 -30.68 50.42 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.922 0.392 . . . . 0.0 110.397 179.722 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.7 ttmt -76.82 -29.43 55.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.66 179.748 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.419 ' O ' ' CA ' ' A' ' 40' ' ' ASP . 21.7 mt-30 -85.22 -28.45 25.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.613 179.786 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 21.7 m -83.96 -25.06 30.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.671 179.665 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -81.35 -25.53 36.28 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.73 179.916 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -140.84 36.71 1.78 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.978 -179.971 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.419 ' CA ' ' O ' ' A' ' 36' ' ' GLN . 1.8 t0 -50.87 145.13 7.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.875 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.882 -179.991 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.836 0.35 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -136.14 25.65 3.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 -179.968 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.59 142.62 33.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.985 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -98.17 -68.56 0.8 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.928 179.95 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 3.9 p80 -51.3 -40.71 59.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.594 179.912 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 6' ' ' HIS . . . . . 1.065 ' CD2' HD11 ' A' ' 34' ' ' LEU . 0.4 OUTLIER -62.01 -39.43 92.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.741 179.89 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.425 ' HG3' HD11 ' B' ' 10' ' ' ILE . 0.8 OUTLIER -67.28 -29.39 68.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.612 179.798 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -64.91 -47.27 78.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.044 179.423 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.44 -54.75 43.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.348 179.541 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.788 HG21 ' HB3' ' A' ' 34' ' ' LEU . 18.6 pt -60.7 -24.08 30.93 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.4 179.369 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.16 -46.08 90.89 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 178.746 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -66.21 -33.87 76.73 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 115.762 -0.653 . . . . 0.0 109.686 179.103 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 13' ' ' HIS . . . . . 0.586 ' O ' HG22 ' B' ' 17' ' ' ILE . 10.1 m-70 -73.55 -18.13 61.11 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.088 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.54 -39.93 30.73 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-O 120.922 0.391 . . . . 0.0 110.612 -179.756 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.78 -25.05 48.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.389 179.305 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.32 -37.92 31.65 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.809 179.716 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.846 HD13 ' O ' ' B' ' 17' ' ' ILE . 0.0 OUTLIER -76.23 -34.74 26.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.88 0.371 . . . . 0.0 110.69 179.831 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -78.5 -27.82 46.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.898 0.38 . . . . 0.0 110.888 179.785 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 15.2 ttt85 -80.24 -34.66 36.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.36 -179.828 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.543 ' O ' HG22 ' B' ' 24' ' ' ILE . 90.9 mt -79.49 -27.07 41.5 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 110.097 -0.335 . . . . 0.0 110.097 -179.974 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 21' ' ' GLN . . . . . 0.446 ' HB2' HG13 ' A' ' 24' ' ' ILE . 0.6 OUTLIER -74.53 -39.0 62.63 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 178.662 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 19.9 ttpt -61.9 -46.74 88.05 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.107 179.363 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.26 -51.53 69.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.533 179.576 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.688 HD13 ' O ' ' B' ' 24' ' ' ILE . 0.0 OUTLIER -64.93 -18.87 24.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.935 179.581 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -71.1 -39.58 72.01 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 178.997 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 19.4 mtp180 -66.06 -48.8 69.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.327 179.278 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 27' ' ' HIS . . . . . 0.827 ' O ' HG22 ' B' ' 31' ' ' ILE . 3.0 m-70 -66.68 -24.0 66.21 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.215 179.24 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.472 ' HA ' ' CG2' ' B' ' 31' ' ' ILE . 0.7 OUTLIER -78.04 -24.86 47.63 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.099 179.933 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -78.55 -37.93 41.65 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.53 179.722 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.34 -42.71 61.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.794 179.622 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.827 HG22 ' O ' ' B' ' 27' ' ' HIS . 4.3 tp -73.5 -30.96 31.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.839 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 32' ' ' LYS . . . . . 0.427 ' CB ' ' O ' ' B' ' 28' ' ' LYS . 3.5 ttpm? -79.52 -23.57 42.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.439 179.366 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 4.1 ttmt -75.58 -40.15 57.01 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.992 179.979 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 1.061 HD11 ' CD2' ' A' ' 6' ' ' HIS . 0.1 OUTLIER -77.86 -30.72 51.07 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.903 0.382 . . . . 0.0 110.448 179.708 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 9.7 ttmt -76.7 -29.42 56.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.671 179.703 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 36' ' ' GLN . . . . . 0.418 ' O ' ' CA ' ' B' ' 40' ' ' ASP . 21.6 mt-30 -85.29 -28.42 25.31 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.61 179.792 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 22.2 m -84.11 -24.93 30.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.687 179.684 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -81.27 -25.65 36.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.77 179.811 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -140.85 36.71 1.78 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.011 -179.939 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 40' ' ' ASP . . . . . 0.418 ' CA ' ' O ' ' B' ' 36' ' ' GLN . 1.8 t0 -50.84 145.21 7.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.915 179.998 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.249 -0.881 . . . . 0.0 110.914 179.988 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.841 0.353 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.644 HD12 ' N ' ' A' ' 2' ' ' LEU . 4.1 mp -83.67 153.2 24.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 -179.984 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.07 25.05 11.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.965 179.95 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.8 mtmt -80.24 -34.96 36.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.843 179.921 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -57.62 -23.7 52.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.974 179.956 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -67.04 -54.81 18.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.968 -179.99 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.405 ' O ' HG12 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -60.09 -25.4 65.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.865 -179.938 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -71.4 -47.51 55.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.565 179.744 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.488 ' HG3' ' CE1' ' A' ' 13' ' ' HIS . 4.2 tp10 -60.57 -41.96 95.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.742 179.736 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.539 HG22 HD13 ' B' ' 34' ' ' LEU . 11.2 pt -70.89 -24.83 25.08 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 CA-C-O 120.898 0.38 . . . . 0.0 110.543 179.534 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.8 t -64.78 -40.63 95.56 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.126 0.489 . . . . 0.0 109.748 178.79 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -72.18 -33.48 67.71 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.159 179.42 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.915 ' O ' HG23 ' A' ' 17' ' ' ILE . 8.9 m-70 -67.89 -30.4 69.75 Favored 'General case' 0 C--O 1.224 -0.241 0 C-N-CA 121.029 -0.269 . . . . 0.0 110.573 179.363 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.4 -53.36 19.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.837 0.351 . . . . 0.0 110.265 -179.774 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.57 -21.65 66.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.104 178.813 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.687 ' O ' HD23 ' A' ' 20' ' ' LEU . 2.5 mm-40 -74.86 -42.44 57.9 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.082 179.759 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.972 HG22 ' HB3' ' B' ' 27' ' ' HIS . 0.7 OUTLIER -67.84 -40.83 84.3 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 CA-C-O 120.91 0.386 . . . . 0.0 110.528 -179.994 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -70.62 -26.79 63.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.777 179.582 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.8 mtp85 -75.91 -34.92 59.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.017 -179.96 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.687 HD23 ' O ' ' A' ' 16' ' ' GLU . 3.5 mm? -70.86 -36.38 72.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.865 0.364 . . . . 0.0 110.374 179.722 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.654 ' HB2' HD12 ' B' ' 24' ' ' ILE . 0.0 OUTLIER -67.17 -45.86 75.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.506 179.466 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -32.42 72.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.428 179.619 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -65.64 -48.99 70.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.704 179.879 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.672 HD12 ' HB2' ' B' ' 21' ' ' GLN . 5.7 tt -64.05 -23.01 32.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.715 0.293 . . . . 0.0 110.545 179.425 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -68.03 -48.86 64.5 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.38 179.584 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.0 -36.8 84.27 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.572 179.646 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.961 ' HB3' HG22 ' B' ' 17' ' ' ILE . 0.1 OUTLIER -73.58 -22.33 60.08 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.337 179.417 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.464 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 0.2 OUTLIER -76.11 -32.45 59.19 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.584 179.765 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.64 -41.43 65.5 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.425 179.595 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.57 -41.99 78.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.246 179.917 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.816 HG22 ' O ' ' A' ' 27' ' ' HIS . 4.2 tp -73.04 -27.55 24.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.089 -179.761 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.433 ' HE3' ' CE ' ' A' ' 28' ' ' LYS . 10.8 mttt -80.19 -22.73 41.58 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.783 179.624 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.7 mmtt -80.68 -40.48 25.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.444 -179.779 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.529 HD13 HG22 ' B' ' 10' ' ' ILE . 8.0 mt -81.61 -24.85 36.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.857 0.361 . . . . 0.0 110.558 179.794 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.3 ttmm -83.99 -27.01 28.72 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.494 179.459 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.408 ' CG ' ' O ' ' A' ' 32' ' ' LYS . 29.0 mt-30 -81.83 -33.9 30.49 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.663 179.642 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.15 -28.99 57.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.825 179.824 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.08 -28.81 60.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.805 179.913 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -71.46 -27.25 63.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.838 -179.977 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 68.67 178.59 0.25 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.955 -179.986 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.258 -0.877 . . . . 0.0 110.943 179.985 . . . . . . . . 0 0 . 1 . 033 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.81 0.338 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' B' B ' 2' ' ' LEU . . . . . 0.65 ' N ' HD12 ' B' ' 2' ' ' LEU . 4.1 mp -83.51 153.25 24.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.947 179.975 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.11 24.98 11.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.009 179.908 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 2.8 mtmt -80.18 -35.11 36.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.818 179.961 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -57.47 -23.69 51.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.974 179.971 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -67.09 -55.02 16.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.945 -179.927 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.405 ' O ' HG12 ' B' ' 10' ' ' ILE . 0.0 OUTLIER -59.78 -25.53 64.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.924 179.976 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -71.33 -47.67 55.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.518 179.774 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.492 ' HG3' ' CE1' ' B' ' 13' ' ' HIS . 4.2 tp10 -60.46 -41.89 95.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.667 179.801 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.529 HG22 HD13 ' A' ' 34' ' ' LEU . 11.2 pt -71.01 -24.83 24.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 CA-C-O 120.909 0.385 . . . . 0.0 110.471 179.623 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 1.8 t -64.79 -40.26 94.95 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 178.864 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -72.59 -33.26 66.6 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.09 179.444 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 13' ' ' HIS . . . . . 0.923 ' O ' HG23 ' B' ' 17' ' ' ILE . 9.0 m-70 -68.12 -30.14 69.22 Favored 'General case' 0 C--O 1.225 -0.212 0 C-N-CA 120.978 -0.289 . . . . 0.0 110.616 179.429 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.406 ' O ' HG13 ' B' ' 17' ' ' ILE . . . -69.98 -53.27 18.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.788 0.328 . . . . 0.0 110.231 -179.866 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.42 -22.1 66.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.162 178.823 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.667 ' O ' HD23 ' B' ' 20' ' ' LEU . 2.4 mm-40 -74.33 -43.06 58.27 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.064 179.793 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.961 HG22 ' HB3' ' A' ' 27' ' ' HIS . 0.7 OUTLIER -67.35 -40.93 85.76 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 CA-C-O 120.817 0.342 . . . . 0.0 110.57 -179.994 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -70.33 -26.64 63.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.785 179.598 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 12.2 mtp85 -76.11 -34.77 59.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.076 -179.986 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.667 HD23 ' O ' ' B' ' 16' ' ' GLU . 3.5 mm? -71.02 -36.07 72.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.883 0.373 . . . . 0.0 110.38 179.776 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 21' ' ' GLN . . . . . 0.672 ' HB2' HD12 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -67.4 -45.73 75.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.474 179.524 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.07 -32.23 72.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.375 179.594 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -65.49 -49.27 69.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.739 179.802 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.654 HD12 ' HB2' ' A' ' 21' ' ' GLN . 5.6 tt -64.09 -23.28 32.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.699 0.285 . . . . 0.0 110.431 179.539 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -67.48 -48.62 66.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.94 0.4 . . . . 0.0 110.408 179.466 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.34 -36.43 82.9 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.551 179.593 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 27' ' ' HIS . . . . . 0.972 ' HB3' HG22 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -74.31 -20.99 59.92 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.317 179.438 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.477 ' HA ' ' CG2' ' B' ' 31' ' ' ILE . 0.2 OUTLIER -77.54 -32.69 54.1 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.491 179.706 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.44 -42.41 65.07 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.3 179.577 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.35 -43.9 80.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.001 179.816 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.799 HG22 ' O ' ' B' ' 27' ' ' HIS . 4.8 tp -70.79 -28.15 32.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.382 -179.776 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 32' ' ' LYS . . . . . 0.426 ' HE3' ' CE ' ' B' ' 28' ' ' LYS . 11.0 mttt -79.97 -22.28 42.76 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.932 179.74 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 3.8 mmtt -81.0 -39.88 25.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.451 -179.732 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.539 HD13 HG22 ' A' ' 10' ' ' ILE . 8.3 mt -82.09 -24.86 34.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.86 0.362 . . . . 0.0 110.529 179.805 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 1.3 ttmm -83.93 -27.34 28.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.429 179.474 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 36' ' ' GLN . . . . . 0.42 ' CG ' ' O ' ' B' ' 32' ' ' LYS . 29.1 mt-30 -81.57 -34.23 31.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.571 179.72 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.84 -29.09 58.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.801 179.856 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.17 -28.75 60.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.755 -179.993 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -71.44 -27.35 63.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 179.985 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 68.83 178.51 0.25 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 179.88 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.272 -0.871 . . . . 0.0 110.934 179.995 . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.303 0 CA-C-O 120.859 0.362 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -134.06 88.45 2.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.946 179.984 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.29 -79.22 0.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.982 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.413 ' O ' ' CG ' ' A' ' 7' ' ' GLU . 0.0 OUTLIER 76.81 -79.12 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.022 179.951 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -46.9 -29.38 1.98 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.988 0.423 . . . . 0.0 110.761 179.927 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.57 ' C ' HD12 ' A' ' 10' ' ' ILE . 0.1 OUTLIER -68.58 -49.39 59.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.478 179.629 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.413 ' CG ' ' O ' ' A' ' 4' ' ' LYS . 0.3 OUTLIER -58.52 -22.82 56.52 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.558 179.422 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -71.74 -59.59 2.67 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.507 179.671 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.463 ' O ' ' CD2' ' A' ' 13' ' ' HIS . 1.4 mt-10 -71.51 -8.65 55.25 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.735 178.852 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.588 ' O ' HD11 ' B' ' 31' ' ' ILE . 51.4 mt -90.79 -29.5 4.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.044 179.932 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.5 p -79.53 -31.1 42.05 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 179.008 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -76.84 -49.33 16.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.741 179.384 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.915 ' O ' HG23 ' A' ' 17' ' ' ILE . 12.8 m-70 -65.22 -27.02 68.39 Favored 'General case' 0 CA--C 1.519 -0.231 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.06 179.006 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.456 ' HB2' ' O ' ' A' ' 10' ' ' ILE . . . -66.44 -50.34 63.69 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.717 -179.811 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.03 -27.57 68.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.998 0.428 . . . . 0.0 110.297 179.469 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.507 ' O ' HD23 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -70.3 -41.55 73.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.292 -179.886 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.952 HG22 ' HB3' ' B' ' 27' ' ' HIS . 1.0 OUTLIER -67.55 -36.66 76.93 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-O 121.05 0.452 . . . . 0.0 110.671 -179.769 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.413 ' N ' HG13 ' A' ' 17' ' ' ILE . 6.5 mm-40 -69.86 -28.94 66.07 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.563 179.529 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.46 -42.85 67.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.581 -179.688 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.766 ' O ' HG22 ' A' ' 24' ' ' ILE . 3.4 mm? -73.43 -28.5 62.01 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 120.736 0.303 . . . . 0.0 110.55 -179.755 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.441 ' HA ' ' CG2' ' A' ' 24' ' ' ILE . 1.0 OUTLIER -75.16 -27.82 59.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.473 179.338 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.62 -32.16 53.27 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.015 179.446 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.427 ' CB ' ' HG ' ' B' ' 20' ' ' LEU . 3.3 mm-40 -71.69 -46.41 58.88 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.592 179.472 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.914 ' O ' HD12 ' A' ' 24' ' ' ILE . 0.1 OUTLIER -62.9 -36.69 76.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.941 0.401 . . . . 0.0 110.023 179.325 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -62.51 -47.56 83.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.32 179.676 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -64.82 -36.67 85.08 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 120.881 0.372 . . . . 0.0 111.472 -179.521 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.936 ' HB3' HG22 ' B' ' 17' ' ' ILE . 0.1 OUTLIER -74.43 -22.57 59.07 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.713 -179.985 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.45 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 7.1 ttmt -76.6 -32.53 58.16 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.434 179.62 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -72.63 -40.41 66.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.58 179.597 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 92.6 p -70.51 -40.83 73.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.276 -179.969 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.759 HG22 ' O ' ' A' ' 27' ' ' HIS . 5.7 tp -74.82 -25.24 18.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.914 -179.966 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.1 ttpt -79.41 -31.76 42.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.654 179.716 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.7 mttt -74.83 -36.55 62.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.643 179.756 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.1 mt -73.28 -38.01 66.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.825 179.787 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.5 ttmm -74.08 -30.84 62.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.812 179.9 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -74.64 -31.22 61.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.79 179.86 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.22 -27.19 64.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.757 179.905 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -67.98 -30.18 69.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.913 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -82.36 -25.54 33.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.858 179.965 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 70.02 135.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.947 -179.969 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.228 -0.891 . . . . 0.0 110.881 179.961 . . . . . . . . 0 0 . 1 . 034 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.825 0.345 . . . . 0.0 111.089 . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -134.02 88.42 2.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.947 179.935 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.08 -79.23 0.54 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.963 179.952 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 4' ' ' LYS . . . . . 0.417 ' O ' ' CG ' ' B' ' 7' ' ' GLU . 0.0 OUTLIER 76.75 -79.09 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.035 179.956 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -46.93 -29.32 1.97 Allowed 'General case' 0 C--O 1.233 0.185 0 CA-C-O 121.02 0.438 . . . . 0.0 110.771 179.902 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 6' ' ' HIS . . . . . 0.555 ' C ' HD12 ' B' ' 10' ' ' ILE . 0.1 OUTLIER -68.66 -49.27 60.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.524 179.547 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.417 ' CG ' ' O ' ' B' ' 4' ' ' LYS . 0.3 OUTLIER -58.61 -22.82 57.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.563 179.33 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -71.66 -59.56 2.69 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.46 179.657 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.472 ' O ' ' CD2' ' B' ' 13' ' ' HIS . 1.4 mt-10 -71.83 -8.31 53.52 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.669 178.92 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.572 ' O ' HD11 ' A' ' 31' ' ' ILE . 51.9 mt -91.07 -29.44 4.79 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.048 179.872 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 8.5 p -79.73 -31.33 41.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.609 179.005 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -76.55 -49.89 15.29 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.638 179.213 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 13' ' ' HIS . . . . . 0.956 ' O ' HG23 ' B' ' 17' ' ' ILE . 12.2 m-70 -64.36 -27.57 69.1 Favored 'General case' 0 C--O 1.223 -0.32 0 C-N-CA 120.631 -0.428 . . . . 0.0 109.966 178.927 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.461 ' HB2' ' O ' ' B' ' 10' ' ' ILE . . . -65.57 -50.77 63.91 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.952 -179.803 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.98 -27.95 69.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.04 0.448 . . . . 0.0 110.372 179.612 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.54 ' O ' HD23 ' B' ' 20' ' ' LEU . 0.2 OUTLIER -70.38 -40.73 73.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.414 -179.914 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.956 HG23 ' O ' ' B' ' 13' ' ' HIS . 1.0 OUTLIER -68.24 -35.67 72.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.849 0.357 . . . . 0.0 110.883 -179.472 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.426 ' N ' HG13 ' B' ' 17' ' ' ILE . 6.3 mm-40 -71.16 -29.2 64.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.607 179.675 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.52 -42.45 71.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.377 -179.852 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.54 HD23 ' O ' ' B' ' 16' ' ' GLU . 3.2 mm? -71.34 -31.45 67.39 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.818 0.342 . . . . 0.0 110.851 -179.731 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 21' ' ' GLN . . . . . 0.444 ' CG ' HG12 ' A' ' 24' ' ' ILE . 1.1 tt0 -73.58 -32.39 64.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.584 179.832 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.73 -31.72 63.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.459 179.664 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -71.52 -46.05 60.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.043 -179.982 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.898 HD13 ' O ' ' B' ' 24' ' ' ILE . 0.0 OUTLIER -67.73 -30.44 48.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.487 179.818 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -65.02 -43.78 91.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.395 179.513 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -68.17 -36.13 79.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.764 179.781 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 27' ' ' HIS . . . . . 0.952 ' HB3' HG22 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -74.95 -20.57 59.62 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.695 179.693 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.461 ' HA ' ' CG2' ' B' ' 31' ' ' ILE . 6.6 ttmt -78.74 -33.87 46.24 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.906 0.384 . . . . 0.0 110.425 179.625 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -71.5 -40.44 70.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.473 179.49 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 88.2 p -69.71 -43.73 71.78 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.989 179.798 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.767 HG22 ' O ' ' B' ' 27' ' ' HIS . 6.1 tp -72.1 -24.31 22.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.192 179.988 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 24.9 ttpt -80.61 -31.96 36.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.759 179.834 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 18.1 mttt -74.89 -35.64 62.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.648 179.807 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.1 mt -73.83 -38.59 64.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.752 179.833 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 6.5 ttmm -73.81 -30.59 62.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.771 179.948 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -74.71 -31.81 61.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.802 179.857 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.68 -27.21 64.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.829 179.872 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -67.92 -30.08 69.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 179.875 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -82.36 -25.51 33.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.969 179.928 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 70.04 135.36 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.939 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.215 -0.898 . . . . 0.0 110.911 179.994 . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.486 ' HB3' HD12 ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.855 0.36 . . . . 0.0 111.08 . . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.62 HD21 ' OD1' ' B' ' 39' ' ' ASP . 0.3 OUTLIER -148.16 -166.56 2.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.939 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 20.1 mtmm -50.5 141.92 11.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.407 ' O ' ' HG2' ' A' ' 7' ' ' GLU . 0.6 OUTLIER -91.85 -25.01 19.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.985 179.966 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 7.1 p80 -78.76 -38.94 37.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.681 179.73 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -72.38 -36.32 68.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.874 179.86 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 22.9 pt-20 -69.52 -35.69 75.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.444 179.715 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -64.12 -45.42 88.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.201 179.536 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -59.72 -50.79 72.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.308 179.514 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.685 ' CG2' HD23 ' B' ' 34' ' ' LEU . 12.5 pt -70.01 -11.58 15.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.623 179.007 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.68 -38.97 67.43 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 178.092 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -73.36 -41.17 63.75 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 115.492 -0.777 . . . . 0.0 109.698 178.792 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.732 ' HB2' HD13 ' B' ' 31' ' ' ILE . 10.0 m-70 -62.33 -32.43 73.19 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-O 120.647 0.261 . . . . 0.0 110.442 179.257 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.27 -54.4 29.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.105 -179.999 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.16 -21.4 59.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.319 178.959 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.479 ' HB3' ' CE1' ' B' ' 27' ' ' HIS . 0.1 OUTLIER -76.88 -42.82 38.33 Favored 'General case' 0 CA--C 1.527 0.091 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.333 -179.933 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.933 HG22 ' HB3' ' B' ' 27' ' ' HIS . 1.1 pp -71.07 -27.78 30.9 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 CA-C-O 120.905 0.383 . . . . 0.0 110.888 -179.83 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.59 -38.98 58.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.363 179.591 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 43.2 ttt-85 -65.57 -45.46 83.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.409 179.532 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.749 HD12 HG22 ' B' ' 24' ' ' ILE . 0.0 OUTLIER -61.46 -43.62 98.54 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.901 179.295 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.831 ' HG3' HD13 ' B' ' 24' ' ' ILE . 65.5 mt-30 -60.57 -31.58 70.71 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.583 179.589 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.09 -45.36 89.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.429 179.738 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -47.59 85.3 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.859 179.739 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.816 HD13 ' HG3' ' B' ' 21' ' ' GLN . 0.5 OUTLIER -58.36 -36.18 57.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 179.762 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -61.49 -40.35 94.27 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.317 179.612 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -56.44 -47.15 79.72 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.762 179.277 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.961 ' HB3' HG22 ' B' ' 17' ' ' ILE . 0.2 OUTLIER -66.33 -26.15 67.16 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.629 178.727 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.509 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 6.0 ttmt -72.04 -26.72 62.3 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.894 179.877 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -75.1 -44.27 48.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.433 179.857 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.06 -42.0 90.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.158 179.889 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.798 HG22 ' O ' ' A' ' 27' ' ' HIS . 3.8 tp -71.75 -32.15 44.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.94 -179.87 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.426 ' O ' ' CB ' ' A' ' 36' ' ' GLN . 25.0 mmtp -76.6 -20.47 56.74 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.075 179.892 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -83.54 -38.18 22.06 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.458 -179.632 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.691 HD23 ' CG2' ' B' ' 10' ' ' ILE . 45.2 tp -84.47 -22.39 30.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.771 0.32 . . . . 0.0 110.602 179.868 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 27.7 ttmt -89.06 -27.24 20.94 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.356 179.289 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.426 ' CB ' ' O ' ' A' ' 32' ' ' LYS . 10.2 tt0 -83.09 -32.09 26.94 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.508 179.461 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 21.6 p -75.7 -25.7 56.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.75 179.68 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.554 ' OE1' HD22 ' B' ' 2' ' ' LEU . 2.1 tt0 -74.0 -29.44 61.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.899 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.628 ' OD1' HD21 ' B' ' 2' ' ' LEU . 4.4 t70 -145.09 44.32 1.33 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 36' ' ' GLN . 3.2 t70 -50.65 143.55 9.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.996 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.898 179.995 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 1' ' ' ALA . . . . . 0.465 ' HB3' HD12 ' B' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.808 0.337 . . . . 0.0 111.063 . . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 2' ' ' LEU . . . . . 0.628 HD21 ' OD1' ' A' ' 39' ' ' ASP . 0.3 OUTLIER -148.1 -166.65 2.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.857 -179.951 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 20.0 mtmm -50.45 141.95 11.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.945 179.906 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 4' ' ' LYS . . . . . 0.402 ' O ' ' HG2' ' B' ' 7' ' ' GLU . 0.6 OUTLIER -91.93 -25.03 19.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.932 -179.98 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 7.1 p80 -78.77 -38.92 37.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.637 179.801 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -72.42 -36.32 68.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.778 179.932 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.402 ' HG2' ' O ' ' B' ' 4' ' ' LYS . 22.9 pt-20 -69.63 -35.6 75.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.475 179.77 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -64.07 -45.44 88.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.289 179.413 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -59.72 -50.82 72.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.315 179.52 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.691 ' CG2' HD23 ' A' ' 34' ' ' LEU . 12.4 pt -70.0 -11.64 15.15 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.659 178.999 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.59 -39.05 67.66 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 178.104 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -73.27 -41.26 63.86 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.67 178.833 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 13' ' ' HIS . . . . . 0.739 ' O ' HG23 ' B' ' 17' ' ' ILE . 10.0 m-70 -62.21 -32.29 72.93 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.399 179.274 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.27 -54.63 26.37 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.205 179.987 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.9 -21.68 58.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.38 178.938 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.483 ' HB3' ' CE1' ' A' ' 27' ' ' HIS . 0.1 OUTLIER -76.71 -42.81 40.02 Favored 'General case' 0 CA--C 1.527 0.081 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.324 -179.891 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.961 HG22 ' HB3' ' A' ' 27' ' ' HIS . 1.1 pp -70.86 -27.9 31.92 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.169 0 CA-C-O 120.937 0.399 . . . . 0.0 110.882 -179.747 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.36 -39.21 59.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.388 179.672 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 42.0 ttt-85 -66.08 -44.01 85.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.493 179.638 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.731 HD12 HG22 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -64.06 -36.99 85.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.121 179.559 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' B' B ' 21' ' ' GLN . . . . . 0.816 ' HG3' HD13 ' A' ' 24' ' ' ILE . 62.5 mt-30 -67.38 -29.53 69.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.384 179.278 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.74 -46.24 79.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.416 179.63 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.63 -46.91 87.57 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.745 179.71 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.831 HD13 ' HG3' ' A' ' 21' ' ' GLN . 0.5 OUTLIER -58.5 -37.5 64.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 179.595 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -60.8 -40.17 91.67 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.358 179.609 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -56.47 -47.32 79.45 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 121.175 0.512 . . . . 0.0 109.759 179.324 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 27' ' ' HIS . . . . . 0.933 ' HB3' HG22 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -66.26 -26.02 67.15 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.62 178.783 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.503 ' HA ' ' CG2' ' B' ' 31' ' ' ILE . 6.1 ttmt -72.31 -26.62 62.02 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.887 179.844 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -75.06 -44.3 48.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.498 179.761 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.89 -42.25 90.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.087 179.863 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.787 HG22 ' O ' ' B' ' 27' ' ' HIS . 3.8 tp -71.31 -32.53 47.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.037 -179.947 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 32' ' ' LYS . . . . . 0.421 ' O ' ' CB ' ' B' ' 36' ' ' GLN . 25.0 mmtp -76.19 -20.56 57.38 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.073 179.94 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -83.47 -38.24 22.09 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.483 -179.643 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.685 HD23 ' CG2' ' A' ' 10' ' ' ILE . 45.8 tp -84.49 -22.18 30.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.77 0.319 . . . . 0.0 110.664 179.808 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 27.6 ttmt -89.14 -27.23 20.86 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.356 179.241 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 36' ' ' GLN . . . . . 0.421 ' CB ' ' O ' ' B' ' 32' ' ' LYS . 10.1 tt0 -83.11 -32.24 26.83 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.387 179.511 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 21.3 p -75.67 -25.53 56.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.71 179.769 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 38' ' ' GLU . . . . . 0.565 ' OE1' HD22 ' A' ' 2' ' ' LEU . 2.1 tt0 -74.09 -29.62 61.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.795 179.939 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 39' ' ' ASP . . . . . 0.62 ' OD1' HD21 ' A' ' 2' ' ' LEU . 4.4 t70 -144.93 44.36 1.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.844 -179.949 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 40' ' ' ASP . . . . . 0.419 ' N ' ' O ' ' B' ' 36' ' ' GLN . 3.2 t70 -50.74 143.6 9.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.986 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.274 -0.87 . . . . 0.0 110.903 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.578 ' HB2' HD13 ' B' ' 31' ' ' ILE . 8.3 m-70 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.786 0.327 . . . . 0.0 110.207 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.49 -54.94 13.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.491 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.416 ' O ' ' CB ' ' A' ' 19' ' ' ARG . 7.1 mttm -67.04 -14.01 62.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.73 179.273 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.605 ' O ' HD12 ' A' ' 20' ' ' LEU . 1.3 mm-40 -84.49 -36.83 21.98 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.212 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.655 HD13 ' O ' ' A' ' 17' ' ' ILE . 0.0 OUTLIER -78.18 -31.7 16.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.945 0.402 . . . . 0.0 110.463 179.654 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -80.62 -39.29 27.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.358 179.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.416 ' CB ' ' O ' ' A' ' 15' ' ' LYS . 15.2 ttp180 -74.33 -28.17 61.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.308 179.572 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.801 ' O ' HG23 ' A' ' 24' ' ' ILE . 13.6 mt -73.81 -40.73 63.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.099 179.515 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.406 ' O ' HG13 ' A' ' 24' ' ' ILE . 1.6 tt0 -62.74 -42.69 99.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.598 179.609 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.4 ttpt -64.43 -38.02 89.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.698 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -64.55 -38.56 91.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.209 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.801 HG23 ' O ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -64.41 -40.46 89.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.928 0.394 . . . . 0.0 110.264 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.408 ' N ' HG13 ' A' ' 24' ' ' ILE . 1.0 OUTLIER -58.8 -44.55 90.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.463 179.743 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.48 -49.29 72.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.268 179.552 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.642 ' O ' HG22 ' A' ' 31' ' ' ILE . 4.7 m-70 -64.53 -24.73 67.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.576 179.503 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.455 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 4.1 ttpt -77.13 -26.0 52.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.785 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -78.74 -35.3 44.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.746 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 13.1 p -74.52 -36.05 63.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.862 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.642 HG22 ' O ' ' A' ' 27' ' ' HIS . 4.7 tp -77.31 -28.99 16.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.69 -31.62 41.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.76 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.689 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 9.7 p . . . . . 0 C--O 1.233 0.192 0 CA-C-O 120.797 0.332 . . . . 0.0 110.806 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.578 ' CD2' ' CE1' ' B' ' 13' ' ' HIS . 0.0 OUTLIER -71.77 -44.11 64.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.37 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . 0.592 ' HB2' HD13 ' A' ' 31' ' ' ILE . 8.3 m-70 -62.84 -27.27 69.21 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.839 0.352 . . . . 0.0 110.275 179.388 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.47 -54.91 13.85 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.478 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . 0.419 ' O ' ' CB ' ' B' ' 19' ' ' ARG . 7.2 mttm -67.09 -13.91 62.39 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.747 179.214 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.612 ' O ' HD12 ' B' ' 20' ' ' LEU . 1.3 mm-40 -84.68 -36.52 21.84 Favored 'General case' 0 N--CA 1.457 -0.076 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.244 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.658 HD13 ' O ' ' B' ' 17' ' ' ILE . 0.0 OUTLIER -78.47 -31.59 15.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.882 0.373 . . . . 0.0 110.428 179.615 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -80.92 -39.19 26.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.389 179.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . 0.419 ' CB ' ' O ' ' B' ' 15' ' ' LYS . 15.1 ttp180 -74.22 -28.72 61.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.343 179.478 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.799 ' HB3' HG22 ' A' ' 24' ' ' ILE . 13.4 mt -73.0 -41.54 64.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.1 179.374 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.408 ' O ' HG13 ' B' ' 24' ' ' ILE . 1.6 tt0 -61.86 -42.88 99.59 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.667 179.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 7.4 ttpt -64.34 -37.69 88.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.736 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -64.96 -38.1 89.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.179 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.786 HG22 ' HB3' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -64.78 -40.37 88.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.043 0.449 . . . . 0.0 110.249 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . 0.417 ' N ' HG13 ' B' ' 24' ' ' ILE . 1.0 OUTLIER -59.02 -44.41 91.71 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.48 179.701 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.52 -49.28 73.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.274 179.555 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . 0.645 ' CD2' HD11 ' A' ' 20' ' ' LEU . 4.7 m-70 -64.56 -24.73 67.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.584 179.49 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.452 ' HA ' ' CG2' ' B' ' 31' ' ' ILE . 4.0 ttpt -77.07 -26.0 52.97 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.832 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -78.76 -35.24 44.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.778 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 13.0 p -74.52 -36.02 63.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.639 HG22 ' O ' ' B' ' 27' ' ' HIS . 4.6 tp . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.865 ' O ' HG23 ' A' ' 17' ' ' ILE . 17.3 m-70 . . . . . 0 N--CA 1.457 -0.116 0 CA-C-O 120.876 0.369 . . . . 0.0 110.133 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.45 ' N ' HG13 ' B' ' 31' ' ' ILE . . . -64.66 -51.83 60.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.474 179.712 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.0 mttm -64.66 -21.25 66.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.503 179.23 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.487 ' HB3' ' CE1' ' B' ' 27' ' ' HIS . 9.5 mm-40 -77.35 -35.95 54.19 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.147 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.865 HG23 ' O ' ' A' ' 13' ' ' HIS . 1.0 OUTLIER -72.59 -35.39 50.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.826 0.346 . . . . 0.0 110.941 -179.929 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.426 ' N ' HG13 ' A' ' 17' ' ' ILE . 58.6 mt-10 -75.27 -38.94 60.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.552 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.71 -34.26 75.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.552 179.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.809 HD13 ' HA ' ' B' ' 24' ' ' ILE . 0.5 OUTLIER -66.61 -44.86 80.93 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.035 179.475 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.407 ' O ' HG13 ' A' ' 24' ' ' ILE . 10.9 tt0 -56.58 -44.79 81.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.815 179.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -61.57 -35.61 78.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.725 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.455 ' HG2' HD11 ' B' ' 20' ' ' LEU . 1.3 tt0 -65.93 -39.26 90.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.155 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.807 ' HA ' HD13 ' B' ' 20' ' ' LEU . 0.5 OUTLIER -62.9 -40.91 90.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.989 0.423 . . . . 0.0 110.147 179.885 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.409 ' N ' HG13 ' A' ' 24' ' ' ILE . 0.2 OUTLIER -60.37 -41.56 93.97 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.387 179.561 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.1 mmt180 -56.03 -44.97 79.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.014 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.811 ' HB3' HG22 ' B' ' 17' ' ' ILE . 0.2 OUTLIER -65.69 -28.16 68.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.087 179.37 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.522 ' HA ' HG22 ' A' ' 31' ' ' ILE . 1.9 ttpt -74.78 -23.45 58.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.852 179.642 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.418 ' HA ' ' CG ' ' A' ' 32' ' ' LYS . 36.7 tt0 -80.81 -34.41 34.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.757 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.86 -36.4 56.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.576 179.698 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.596 HG21 HG21 ' B' ' 17' ' ' ILE . 0.0 OUTLIER -77.8 -33.85 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.862 179.681 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.418 ' CG ' ' HA ' ' A' ' 29' ' ' GLN . 0.0 OUTLIER -77.19 -29.77 54.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.456 179.543 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.348 179.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.92 0.391 . . . . 0.0 110.762 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.576 ' CD2' ' CE1' ' B' ' 13' ' ' HIS . 0.0 OUTLIER -71.56 -44.19 64.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.243 179.859 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . 0.845 ' O ' HG23 ' B' ' 17' ' ' ILE . 17.1 m-70 -64.03 -30.06 71.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.833 0.349 . . . . 0.0 110.1 179.478 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . 0.448 ' N ' HG13 ' A' ' 31' ' ' ILE . . . -65.01 -51.8 59.65 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.441 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 4.9 mttm -64.33 -21.65 66.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.449 179.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.474 ' HB3' ' CE1' ' A' ' 27' ' ' HIS . 9.5 mm-40 -76.71 -37.06 56.73 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.142 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.845 HG23 ' O ' ' B' ' 13' ' ' HIS . 1.0 OUTLIER -71.5 -35.56 57.11 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 CA-C-O 120.901 0.381 . . . . 0.0 111.045 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.422 ' N ' HG13 ' B' ' 17' ' ' ILE . 63.2 mt-10 -74.34 -39.24 62.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.69 179.633 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.23 -32.32 71.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.614 179.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.807 HD13 ' HA ' ' A' ' 24' ' ' ILE . 0.5 OUTLIER -69.79 -39.5 76.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.344 179.596 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.41 ' O ' HG13 ' B' ' 24' ' ' ILE . 10.2 tt0 -61.85 -43.53 98.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.541 179.413 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -63.11 -36.19 82.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.683 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . 0.41 ' HG2' HD11 ' A' ' 20' ' ' LEU . 1.5 tt0 -65.36 -39.36 92.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.15 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.809 ' HA ' HD13 ' A' ' 20' ' ' LEU . 0.5 OUTLIER -62.65 -41.24 91.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.027 0.441 . . . . 0.0 110.015 179.91 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . 0.409 ' N ' HG13 ' B' ' 24' ' ' ILE . 0.2 OUTLIER -60.33 -41.33 93.31 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.351 179.589 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -56.05 -45.18 79.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.08 179.467 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . 0.827 ' HB3' HG22 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -65.31 -28.0 69.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.157 179.274 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.515 ' HA ' HG22 ' B' ' 31' ' ' ILE . 2.0 ttpt -74.86 -23.86 58.48 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.79 179.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -80.51 -34.14 35.87 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.751 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 3.8 m -76.99 -36.46 56.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.61 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.61 HG21 HG21 ' A' ' 17' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.818 179.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.473 ' HB2' HD13 ' B' ' 31' ' ' ILE . 10.8 m-70 . . . . . 0 N--CA 1.458 -0.055 0 CA-C-O 120.7 0.286 . . . . 0.0 110.241 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.445 ' O ' HG22 ' A' ' 17' ' ' ILE . . . -70.96 -54.1 12.52 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.351 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.409 ' O ' ' CB ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -69.01 -15.51 63.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.669 179.141 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.593 ' O ' HD12 ' A' ' 20' ' ' LEU . 6.6 mm-40 -84.26 -34.54 23.79 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.973 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.612 ' C ' HD13 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -77.09 -35.54 23.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.901 0.381 . . . . 0.0 110.451 179.668 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.8 -38.95 37.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.362 179.308 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.409 ' CB ' ' O ' ' A' ' 15' ' ' LYS . 3.7 ttt180 -74.0 -26.99 60.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.423 179.588 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.759 ' O ' HG23 ' A' ' 24' ' ' ILE . 10.2 mt -73.2 -42.12 63.04 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.103 179.379 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -61.38 -44.6 96.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.653 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.07 -35.74 81.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.711 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.405 ' OE2' ' CZ ' ' A' ' 19' ' ' ARG . 3.4 mt-10 -66.45 -36.32 82.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.158 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.759 HG23 ' O ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -65.89 -41.53 90.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.99 0.424 . . . . 0.0 110.159 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.403 ' N ' HG13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -58.74 -44.18 90.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.441 179.701 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.76 -49.32 73.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.268 179.601 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.736 ' O ' HG22 ' A' ' 31' ' ' ILE . 1.7 m-70 -62.99 -25.34 68.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.561 179.531 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.453 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 0.0 OUTLIER -75.12 -30.38 60.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.902 179.923 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -75.03 -34.66 61.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.746 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.59 -40.64 61.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.736 HG22 ' O ' ' A' ' 27' ' ' HIS . 4.0 tp -74.22 -26.08 20.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.87 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt -79.07 -36.39 40.91 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.745 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.736 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 3.2 t . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.828 0.347 . . . . 0.0 111.059 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.577 ' CD2' ' CE1' ' B' ' 13' ' ' HIS . 0.0 OUTLIER -75.0 -43.33 54.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.426 -179.897 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . 0.577 ' CE1' ' CD2' ' B' ' 12' ' ' HIS . 10.8 m-70 -65.3 -25.72 67.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.755 0.312 . . . . 0.0 110.318 179.42 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . 0.442 ' O ' HG22 ' B' ' 17' ' ' ILE . . . -70.97 -54.05 12.69 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.441 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . 0.411 ' O ' ' CB ' ' B' ' 19' ' ' ARG . 0.0 OUTLIER -69.03 -15.62 63.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.635 179.1 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.587 ' O ' HD12 ' B' ' 20' ' ' LEU . 6.6 mm-40 -84.18 -34.56 23.95 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.994 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.623 ' C ' HD13 ' B' ' 17' ' ' ILE . 0.0 OUTLIER -77.03 -35.54 23.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.884 0.373 . . . . 0.0 110.477 179.626 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.94 -38.84 36.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.312 179.401 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . 0.412 ' CZ ' ' OE2' ' B' ' 23' ' ' GLU . 3.7 ttt180 -73.94 -27.04 60.82 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.444 179.531 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.758 ' HB3' HG22 ' A' ' 24' ' ' ILE . 10.2 mt -73.17 -42.21 63.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.058 179.426 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.404 ' O ' HG13 ' B' ' 24' ' ' ILE . 1.9 tt0 -61.29 -44.73 96.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.653 179.62 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.91 -35.75 81.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.77 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . 0.412 ' OE2' ' CZ ' ' B' ' 19' ' ' ARG . 3.4 mt-10 -66.5 -36.31 82.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.142 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.758 HG23 ' O ' ' B' ' 20' ' ' LEU . 0.5 OUTLIER -65.86 -41.56 90.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.99 0.424 . . . . 0.0 110.159 179.919 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . 0.412 ' N ' HG13 ' B' ' 24' ' ' ILE . 0.0 OUTLIER -58.75 -44.07 90.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.54 179.727 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.8 -49.39 73.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.261 179.546 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . 0.729 ' O ' HG22 ' B' ' 31' ' ' ILE . 1.8 m-70 -62.89 -25.33 68.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.644 179.463 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.455 ' HA ' ' CG2' ' B' ' 31' ' ' ILE . 0.0 OUTLIER -75.17 -30.31 60.66 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.886 179.906 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -75.12 -34.6 61.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.734 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.59 -40.54 61.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.933 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.729 HG22 ' O ' ' B' ' 27' ' ' HIS . 4.0 tp . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.806 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.441 ' CB ' ' HB ' ' B' ' 31' ' ' ILE . 7.8 m-70 . . . . . 0 CA--C 1.522 -0.128 0 N-CA-C 110.167 -0.309 . . . . 0.0 110.167 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.541 ' O ' HG22 ' A' ' 17' ' ' ILE . . . -70.48 -56.23 7.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.411 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.04 -13.1 62.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.494 178.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.822 ' O ' HD23 ' A' ' 20' ' ' LEU . 7.1 tp10 -86.05 -32.13 21.58 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.775 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.619 ' C ' HD13 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -77.22 -37.81 26.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 120.842 0.353 . . . . 0.0 110.415 179.523 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.36 -37.86 56.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.444 179.285 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.24 -29.71 62.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.648 179.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.822 HD23 ' O ' ' A' ' 16' ' ' GLU . 1.9 mm? -71.9 -39.1 69.77 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.016 179.52 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.406 ' O ' HG13 ' A' ' 24' ' ' ILE . 1.9 tt0 -62.03 -47.45 84.68 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.538 179.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.82 -33.48 75.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.64 179.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -67.23 -36.39 81.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.011 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.764 HG22 ' HB3' ' B' ' 20' ' ' LEU . 0.5 OUTLIER -65.82 -41.13 89.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.007 0.432 . . . . 0.0 110.079 179.872 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.406 ' N ' HG13 ' A' ' 24' ' ' ILE . 1.1 tp10 -59.28 -43.11 92.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.465 179.598 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.6 ttm180 -55.84 -50.74 69.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.125 179.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.737 ' O ' HG22 ' A' ' 31' ' ' ILE . 4.0 m-70 -62.32 -24.87 67.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.387 179.308 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.451 ' CB ' HG13 ' B' ' 17' ' ' ILE . 2.2 ttpp -74.25 -29.93 61.91 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.648 179.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -76.06 -31.8 58.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.796 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.7 m -77.0 -39.09 51.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.737 HG22 ' O ' ' A' ' 27' ' ' HIS . 3.1 tp -75.71 -28.93 19.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.711 179.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.87 -34.32 39.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.868 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.9 tttt . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.665 179.846 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 2.7 m . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.78 0.324 . . . . 0.0 110.827 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.569 ' CD2' ' CE1' ' B' ' 13' ' ' HIS . 0.0 OUTLIER -78.2 -40.55 37.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.487 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . 0.569 ' CE1' ' CD2' ' B' ' 12' ' ' HIS . 7.8 m-70 -67.04 -27.51 67.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.851 0.357 . . . . 0.0 110.18 179.332 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . 0.634 ' N ' HD13 ' A' ' 31' ' ' ILE . . . -70.85 -55.55 8.24 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.333 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.5 -13.36 62.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.468 178.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.817 ' O ' HD23 ' B' ' 20' ' ' LEU . 7.1 tp10 -85.81 -31.91 22.06 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.789 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.626 ' C ' HD13 ' B' ' 17' ' ' ILE . 0.0 OUTLIER -77.05 -38.01 27.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.843 0.354 . . . . 0.0 110.365 179.555 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.34 -37.83 56.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.34 179.448 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.19 -29.69 63.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.691 179.686 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.817 HD23 ' O ' ' B' ' 16' ' ' GLU . 1.9 mm? -71.88 -39.11 69.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.308 -0.406 . . . . 0.0 109.999 179.499 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.408 ' O ' HG13 ' B' ' 24' ' ' ILE . 2.0 tt0 -62.14 -47.42 84.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.487 179.644 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.0 -33.26 75.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.625 179.728 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -67.42 -36.35 81.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.969 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.766 HG22 ' HB3' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -65.8 -41.16 89.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.026 0.441 . . . . 0.0 110.045 179.847 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . 0.408 ' N ' HG13 ' B' ' 24' ' ' ILE . 1.1 tp10 -59.32 -43.05 92.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.462 179.584 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 8.5 ttm180 -55.75 -50.59 69.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.176 179.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . 0.724 ' O ' HG22 ' B' ' 31' ' ' ILE . 3.9 m-70 -62.6 -24.83 67.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.357 179.311 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.454 ' CB ' HG13 ' A' ' 17' ' ' ILE . 2.1 ttpp -74.36 -29.65 61.66 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.655 179.626 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -76.28 -32.27 58.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.82 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 4.6 m -76.62 -38.79 54.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.724 HG22 ' O ' ' B' ' 27' ' ' HIS . 3.6 tp . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.772 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.455 ' CB ' ' HB ' ' B' ' 31' ' ' ILE . 9.9 m-70 . . . . . 0 CA--C 1.522 -0.12 0 CA-C-O 120.866 0.365 . . . . 0.0 110.142 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.693 ' N ' HD13 ' B' ' 31' ' ' ILE . . . -65.17 -54.78 24.44 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.421 179.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.403 ' O ' ' CG ' ' A' ' 19' ' ' ARG . 9.0 mtmt -66.7 -16.42 64.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.677 179.166 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.66 ' O ' HD23 ' A' ' 20' ' ' LEU . 1.6 mm-40 -81.87 -33.36 30.6 Favored 'General case' 0 N--CA 1.456 -0.125 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.272 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.531 HD12 ' CB ' ' B' ' 28' ' ' LYS . 2.7 tt -79.18 -33.69 15.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 120.893 0.378 . . . . 0.0 110.517 179.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -78.75 -36.46 43.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.469 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.403 ' CG ' ' O ' ' A' ' 15' ' ' LYS . 1.4 mmm-85 -74.97 -33.61 61.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.737 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.863 ' HB3' HG22 ' B' ' 24' ' ' ILE . 2.1 mm? -72.37 -35.67 68.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.148 179.497 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.694 ' HG3' HD13 ' B' ' 24' ' ' ILE . 1.6 mt-30 -64.35 -45.3 88.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.519 179.584 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.09 -36.91 85.16 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.645 179.708 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.6 tp10 -63.94 -40.98 97.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.03 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.879 HG22 ' HB3' ' B' ' 20' ' ' LEU . 0.6 OUTLIER -62.61 -38.67 82.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 121.027 0.442 . . . . 0.0 110.129 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.406 ' N ' HG13 ' A' ' 24' ' ' ILE . 2.1 tp10 -59.12 -44.69 92.03 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.493 179.705 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.7 ttt180 -55.35 -49.5 72.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.126 179.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.794 ' O ' HG22 ' A' ' 31' ' ' ILE . 7.5 m-70 -63.24 -25.99 68.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.372 179.328 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.53 ' CB ' HD12 ' B' ' 17' ' ' ILE . 20.6 ttmm -75.47 -26.37 58.16 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.783 179.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -77.39 -34.72 54.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.692 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.1 m -75.42 -40.39 57.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.754 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.794 HG22 ' O ' ' A' ' 27' ' ' HIS . 3.5 tp -76.87 -27.38 16.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -82.49 -28.57 31.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.769 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.6 tttt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.645 179.791 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 6.2 t . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.868 0.366 . . . . 0.0 110.722 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.564 ' CD2' ' CE1' ' B' ' 13' ' ' HIS . 0.0 OUTLIER -75.27 -45.56 39.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.292 179.912 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . 0.564 ' CE1' ' CD2' ' B' ' 12' ' ' HIS . 10.0 m-70 -62.53 -30.53 71.36 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 179.352 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . 0.577 ' N ' HD13 ' A' ' 31' ' ' ILE . . . -65.63 -55.62 16.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.357 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . 0.421 ' O ' ' CG ' ' B' ' 19' ' ' ARG . 9.4 mtmt -66.38 -15.94 63.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.616 179.171 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.652 ' O ' HD23 ' B' ' 20' ' ' LEU . 1.6 mm-40 -82.21 -33.88 29.17 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.218 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.53 HD12 ' CB ' ' A' ' 28' ' ' LYS . 2.7 tt -79.16 -33.39 15.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.838 0.352 . . . . 0.0 110.501 179.627 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -78.84 -36.44 42.42 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.546 179.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . 0.421 ' CG ' ' O ' ' B' ' 15' ' ' LYS . 1.6 mmm-85 -75.0 -33.51 61.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.675 179.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.879 ' HB3' HG22 ' A' ' 24' ' ' ILE . 2.2 mm? -72.35 -35.74 68.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.054 179.619 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.681 ' HG3' HD13 ' A' ' 24' ' ' ILE . 1.6 mt-30 -64.29 -45.51 87.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.529 179.564 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.88 -37.04 85.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.604 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 -63.82 -41.04 97.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.986 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.863 HG22 ' HB3' ' A' ' 20' ' ' LEU . 0.6 OUTLIER -62.46 -38.7 82.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.029 0.442 . . . . 0.0 110.158 179.864 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . 0.408 ' N ' HG13 ' B' ' 24' ' ' ILE . 2.1 tp10 -59.04 -44.92 91.83 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.515 179.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 18.5 ttt180 -55.16 -49.56 71.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.187 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . 0.794 ' O ' HG22 ' B' ' 31' ' ' ILE . 7.4 m-70 -63.13 -26.14 68.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.414 179.332 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.531 ' CB ' HD12 ' A' ' 17' ' ' ILE . 20.7 ttmm -75.34 -26.43 58.57 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.712 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -77.39 -34.25 54.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.668 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 3.1 m -75.79 -40.47 55.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.82 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.794 HG22 ' O ' ' B' ' 27' ' ' HIS . 3.0 tp . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.797 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.441 ' CB ' ' HB ' ' B' ' 31' ' ' ILE . 10.5 m-70 . . . . . 0 CA--C 1.522 -0.103 0 CA-C-O 120.83 0.347 . . . . 0.0 110.269 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.451 ' N ' HD13 ' B' ' 31' ' ' ILE . . . -69.88 -55.2 10.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.371 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.415 ' O ' ' CB ' ' A' ' 19' ' ' ARG . 2.1 mttp -68.17 -14.7 63.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.593 179.055 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.63 ' O ' HD12 ' A' ' 20' ' ' LEU . 8.1 mm-40 -84.55 -34.65 23.2 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.122 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.616 ' C ' HD13 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -78.29 -34.16 18.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.841 0.353 . . . . 0.0 110.35 179.601 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.28 -39.19 33.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.32 179.369 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.415 ' CB ' ' O ' ' A' ' 15' ' ' LYS . 0.7 OUTLIER -73.86 -29.02 61.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.475 179.632 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.81 ' HB3' HG22 ' B' ' 24' ' ' ILE . 12.9 mt -72.77 -39.89 66.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.048 179.393 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.404 ' O ' HG13 ' A' ' 24' ' ' ILE . 15.6 tt0 -61.91 -45.35 94.11 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.684 179.691 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.37 -36.93 85.33 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.721 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.59 -38.18 90.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.126 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.808 HG22 ' HB3' ' B' ' 20' ' ' LEU . 0.5 OUTLIER -65.14 -39.88 86.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.072 0.463 . . . . 0.0 110.23 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.411 ' N ' HG13 ' A' ' 24' ' ' ILE . 1.5 tp10 -58.57 -44.45 89.73 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.494 179.671 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.5 -49.86 73.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.35 179.627 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.643 ' CD2' HD11 ' B' ' 20' ' ' LEU . 2.6 m-70 -62.99 -25.05 68.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.462 179.531 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.483 ' HA ' HG22 ' A' ' 31' ' ' ILE . 8.3 ttpt -77.84 -26.18 49.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.83 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -76.37 -36.03 58.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.829 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.2 m -73.69 -41.13 63.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.681 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.529 HD13 ' N ' ' B' ' 14' ' ' ALA . 5.0 tp -71.87 -27.28 27.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.222 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.69 -36.4 37.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.025 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.0 ttmt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.774 179.968 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.767 0.318 . . . . 0.0 111.053 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.569 ' CD2' ' CE1' ' B' ' 13' ' ' HIS . 0.0 OUTLIER -76.83 -44.73 31.23 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.405 -179.815 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . 0.569 ' CE1' ' CD2' ' B' ' 12' ' ' HIS . 10.6 m-70 -64.99 -26.2 68.19 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.246 179.313 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . 0.529 ' N ' HD13 ' A' ' 31' ' ' ILE . . . -70.31 -54.75 11.32 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.432 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . 0.4 ' O ' ' CB ' ' B' ' 19' ' ' ARG . 2.0 mttp -68.33 -15.03 63.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.635 179.034 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.605 ' O ' HD12 ' B' ' 20' ' ' LEU . 8.1 mm-40 -84.26 -34.85 23.74 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.039 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.615 ' C ' HD13 ' B' ' 17' ' ' ILE . 0.0 OUTLIER -77.74 -34.6 20.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.926 0.393 . . . . 0.0 110.444 179.597 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.8 -39.21 36.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.422 179.334 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . 0.4 ' CB ' ' O ' ' B' ' 15' ' ' LYS . 0.8 OUTLIER -74.07 -28.32 61.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.51 179.657 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.808 ' HB3' HG22 ' A' ' 24' ' ' ILE . 13.0 mt -73.6 -39.29 64.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.045 179.472 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.411 ' O ' HG13 ' B' ' 24' ' ' ILE . 15.8 tt0 -62.59 -45.18 94.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.58 179.553 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.48 -37.03 85.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.731 179.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.36 -38.6 91.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.119 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.81 HG22 ' HB3' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -64.78 -39.91 87.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.938 0.399 . . . . 0.0 110.178 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . 0.413 ' N ' HG13 ' B' ' 24' ' ' ILE . 1.4 tp10 -58.53 -44.41 89.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.544 179.72 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.45 -50.02 72.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.33 179.564 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . 0.633 ' CD2' HD11 ' A' ' 20' ' ' LEU . 2.7 m-70 -62.95 -24.96 68.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.519 179.464 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.48 ' HA ' HG22 ' B' ' 31' ' ' ILE . 8.2 ttpt -77.93 -26.14 48.74 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.772 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -76.57 -36.26 57.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.772 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 1.2 m -73.44 -41.03 63.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.715 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.509 HG22 ' O ' ' B' ' 27' ' ' HIS . 5.4 tp . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.221 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.88 ' O ' HG23 ' A' ' 17' ' ' ILE . 13.2 m-70 . . . . . 0 CA--C 1.52 -0.191 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.446 ' N ' HG13 ' B' ' 31' ' ' ILE . . . -64.75 -57.16 9.7 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.172 179.625 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp -62.28 -17.79 59.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.324 178.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.835 ' O ' HD23 ' A' ' 20' ' ' LEU . 31.9 tt0 -80.33 -34.48 36.65 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.973 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.88 HG23 ' O ' ' A' ' 13' ' ' HIS . 1.1 pp -72.57 -35.08 49.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.974 0.416 . . . . 0.0 110.619 179.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.427 ' N ' HG13 ' A' ' 17' ' ' ILE . 0.8 OUTLIER -75.19 -44.42 46.61 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.533 179.586 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -70.17 -24.63 63.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.481 179.513 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.835 HD23 ' O ' ' A' ' 16' ' ' GLU . 1.4 mm? -71.14 -43.6 67.23 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.045 179.305 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.46 ' HA ' HG21 ' B' ' 24' ' ' ILE . 0.0 OUTLIER -59.99 -50.54 73.34 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.404 179.446 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.6 -25.74 68.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.669 179.613 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -74.67 -31.51 61.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.934 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.682 HG23 ' O ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -69.9 -42.67 79.84 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 CA-C-O 121.087 0.47 . . . . 0.0 110.057 179.837 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.409 ' N ' HG13 ' A' ' 24' ' ' ILE . 0.4 OUTLIER -63.29 -43.77 96.93 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.421 179.53 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -58.63 -37.38 75.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.311 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.829 ' HB3' HG22 ' B' ' 17' ' ' ILE . 1.6 m-70 -68.8 -28.91 67.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.221 179.454 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.464 ' HA ' HG22 ' A' ' 31' ' ' ILE . 4.0 ttpt -72.41 -28.7 63.15 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.745 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.6 -35.62 52.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.801 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.1 m -75.34 -33.1 61.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.96 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.464 HG22 ' HA ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -76.68 -31.6 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.974 179.898 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -76.96 -36.3 56.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.658 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.658 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.875 0.369 . . . . 0.0 110.789 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -75.36 -38.35 60.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.097 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . 0.883 ' O ' HG23 ' B' ' 17' ' ' ILE . 12.9 m-70 -65.33 -32.49 74.16 Favored 'General case' 0 CA--C 1.52 -0.197 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 179.097 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . 0.441 ' N ' HG13 ' A' ' 31' ' ' ILE . . . -64.73 -57.17 9.7 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.253 179.676 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 3.6 mmtp -62.19 -17.67 58.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.384 178.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.846 ' O ' HD23 ' B' ' 20' ' ' LEU . 31.8 tt0 -80.3 -34.83 36.51 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.023 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.883 HG23 ' O ' ' B' ' 13' ' ' HIS . 1.1 pp -72.18 -35.14 52.05 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 CA-C-O 120.963 0.411 . . . . 0.0 110.668 179.704 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.422 ' N ' HG13 ' B' ' 17' ' ' ILE . 0.8 OUTLIER -74.76 -44.83 47.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.452 179.525 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -69.85 -24.31 63.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.465 179.529 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.846 HD23 ' O ' ' B' ' 16' ' ' GLU . 1.4 mm? -71.65 -42.74 67.19 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.115 179.345 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.413 ' HA ' HG21 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -60.65 -50.28 74.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.439 179.231 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.15 -25.43 68.08 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.641 179.591 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -74.7 -32.08 62.06 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.962 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.696 HG23 ' O ' ' B' ' 20' ' ' LEU . 0.5 OUTLIER -69.66 -42.65 80.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.046 0.45 . . . . 0.0 110.009 179.803 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . 0.406 ' N ' HG13 ' B' ' 24' ' ' ILE . 0.4 OUTLIER -63.02 -44.05 97.02 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.476 179.573 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -58.54 -37.51 75.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.304 179.472 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . 0.807 ' HB3' HG22 ' A' ' 17' ' ' ILE . 1.6 m-70 -68.74 -28.84 67.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.333 179.464 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.484 ' HA ' HG22 ' B' ' 31' ' ' ILE . 4.0 ttpt -72.47 -28.8 63.14 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.694 179.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.36 -35.75 54.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.864 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -75.24 -33.17 61.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.484 HG22 ' HA ' ' B' ' 28' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.943 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.626 ' HB2' HD13 ' B' ' 31' ' ' ILE . 8.5 m-70 . . . . . 0 N--CA 1.458 -0.062 0 CA-C-O 120.717 0.294 . . . . 0.0 110.328 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.44 -51.75 12.32 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.447 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.416 ' O ' ' CB ' ' A' ' 19' ' ' ARG . 3.7 mttp -74.15 -14.56 60.98 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.441 178.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.5 ' HG2' ' CG ' ' B' ' 27' ' ' HIS . 0.6 OUTLIER -87.02 -33.5 19.55 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.722 179.777 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.684 HD13 ' O ' ' A' ' 17' ' ' ILE . 0.0 OUTLIER -77.64 -35.67 21.81 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 CA-C-O 120.859 0.362 . . . . 0.0 110.406 179.503 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.65 -39.09 37.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.325 179.254 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.416 ' CB ' ' O ' ' A' ' 15' ' ' LYS . 13.8 tpt85 -73.76 -27.31 61.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.513 179.571 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.81 ' HB3' HG22 ' B' ' 24' ' ' ILE . 13.0 mt -73.1 -41.2 64.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.012 179.417 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.402 ' O ' HG13 ' A' ' 24' ' ' ILE . 21.6 tt0 -61.13 -46.74 89.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.528 179.507 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.87 -33.08 74.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.764 179.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.05 -35.06 77.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.059 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.842 HG22 ' HB3' ' B' ' 20' ' ' LEU . 0.5 OUTLIER -66.99 -41.54 87.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.066 0.46 . . . . 0.0 110.117 179.844 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.401 ' N ' HG13 ' A' ' 24' ' ' ILE . 10.9 tt0 -59.16 -44.43 92.11 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.611 179.614 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.84 -49.4 73.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.245 179.554 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.508 ' CD2' HD11 ' B' ' 20' ' ' LEU . 25.0 m-70 -65.33 -23.46 67.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.624 179.404 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.447 ' CB ' HG13 ' B' ' 17' ' ' ILE . 0.2 OUTLIER -73.41 -32.64 64.55 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.655 179.831 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.74 -32.46 57.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.713 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.8 p -74.98 -35.14 62.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.697 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.628 HD13 ' HB2' ' B' ' 13' ' ' HIS . 7.1 tp -73.31 -34.99 45.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.079 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 48.3 mmtt -76.57 -33.97 58.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.648 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.4 mtpm? . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.444 179.727 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 21.0 p . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.639 0.257 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.582 ' CD2' ' CE1' ' B' ' 13' ' ' HIS . 0.0 OUTLIER -80.45 -39.98 27.15 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 116.565 -0.288 . . . . 0.0 110.644 -179.802 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . 0.628 ' HB2' HD13 ' A' ' 31' ' ' ILE . 8.6 m-70 -70.3 -24.28 63.0 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.402 179.262 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.57 -51.99 11.62 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.39 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . 0.417 ' O ' ' CB ' ' B' ' 19' ' ' ARG . 3.7 mttp -73.92 -14.18 61.01 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.445 178.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.488 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 0.6 OUTLIER -87.28 -33.63 19.19 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.762 179.786 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.69 HD13 ' O ' ' B' ' 17' ' ' ILE . 0.0 OUTLIER -77.73 -35.45 21.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.812 0.339 . . . . 0.0 110.358 179.537 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.89 -39.22 35.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.361 179.218 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . 0.417 ' CB ' ' O ' ' B' ' 15' ' ' LYS . 13.9 tpt85 -73.63 -27.53 61.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.534 179.541 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.842 ' HB3' HG22 ' A' ' 24' ' ' ILE . 13.2 mt -72.69 -41.71 65.01 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 109.892 179.379 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.402 ' O ' HG13 ' B' ' 24' ' ' ILE . 21.9 tt0 -60.49 -46.85 88.6 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.504 179.68 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . 0.402 ' HA ' ' HE2' ' B' ' 22' ' ' LYS . 0.0 OUTLIER -63.97 -32.89 74.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.753 179.861 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.33 -34.64 76.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.037 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.81 HG22 ' HB3' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -67.56 -41.4 85.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.965 0.412 . . . . 0.0 110.029 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . 0.407 ' N ' HG13 ' B' ' 24' ' ' ILE . 11.5 tt0 -59.3 -44.51 92.52 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.5 179.593 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.66 -49.38 73.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.255 179.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . 0.514 ' CD2' HD11 ' A' ' 20' ' ' LEU . 25.0 m-70 -65.25 -23.81 67.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.569 179.459 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.439 ' CB ' HG13 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -73.02 -32.87 65.38 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.7 179.824 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.56 -32.31 58.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.771 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 96.1 p -74.94 -35.29 62.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.758 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.626 HD13 ' HB2' ' A' ' 13' ' ' HIS . 7.1 tp . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.123 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.549 ' HB2' HD13 ' B' ' 31' ' ' ILE . 11.5 m-70 . . . . . 0 CA--C 1.521 -0.135 0 CA-C-O 120.741 0.305 . . . . 0.0 110.215 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.86 -52.01 53.91 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.452 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.44 -21.23 66.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.373 179.198 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.72 ' O ' HD23 ' A' ' 20' ' ' LEU . 44.5 mm-40 -74.2 -42.94 59.0 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.221 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.579 ' O ' HD12 ' B' ' 24' ' ' ILE . 0.3 OUTLIER -71.32 -38.15 68.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.785 0.326 . . . . 0.0 110.565 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -71.88 -29.73 64.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.916 0.389 . . . . 0.0 110.636 179.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -72.54 -41.16 66.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.118 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.739 ' O ' HG22 ' A' ' 24' ' ' ILE . 3.8 mm? -71.99 -26.15 62.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.593 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.571 ' OE1' HD11 ' B' ' 24' ' ' ILE . 1.8 tt0 -74.82 -34.83 62.41 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.422 179.45 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.48 -31.82 65.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.016 179.337 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.5 ' HB2' HD12 ' B' ' 20' ' ' LEU . 3.9 mm-40 -70.05 -49.35 52.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.989 179.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.739 HG22 ' O ' ' A' ' 20' ' ' LEU . 2.9 tt -65.01 -26.7 40.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 179.461 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 73.6 tt0 -64.59 -48.28 75.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.577 179.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.9 ttm180 -66.2 -39.3 89.56 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.821 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.802 ' O ' HG22 ' A' ' 31' ' ' ILE . 11.2 m-70 -72.35 -19.65 61.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.047 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.481 ' HB2' HD12 ' B' ' 17' ' ' ILE . 0.2 OUTLIER -79.2 -36.52 40.03 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.93 0.395 . . . . 0.0 110.552 179.714 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -75.61 -28.67 58.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.496 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.2 t -77.94 -41.81 35.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.846 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.802 HG22 ' O ' ' A' ' 27' ' ' HIS . 5.6 tp -75.74 -27.08 18.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.008 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.4 -32.4 29.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.548 179.553 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.5 tttt . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.49 179.57 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 11.5 m . . . . . 0 C--O 1.233 0.203 0 CA-C-O 120.82 0.343 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.572 ' CD2' ' CE1' ' B' ' 13' ' ' HIS . 0.0 OUTLIER -70.79 -46.59 62.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.189 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . 0.572 ' CE1' ' CD2' ' B' ' 12' ' ' HIS . 11.5 m-70 -63.28 -26.86 68.97 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.78 0.324 . . . . 0.0 110.15 179.124 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.93 -51.9 54.47 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.463 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.38 -21.36 66.67 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.418 179.1 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.725 ' O ' HD23 ' B' ' 20' ' ' LEU . 44.7 mm-40 -74.12 -42.94 59.25 Favored 'General case' 0 N--CA 1.456 -0.144 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.29 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.592 ' O ' HD12 ' A' ' 24' ' ' ILE . 0.3 OUTLIER -71.37 -38.15 67.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-O 120.791 0.329 . . . . 0.0 110.596 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -71.76 -29.84 64.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.943 0.401 . . . . 0.0 110.655 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -72.49 -41.15 66.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.118 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.759 ' O ' HG22 ' B' ' 24' ' ' ILE . 3.8 mm? -72.1 -26.1 62.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.516 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.564 ' OE1' HD11 ' A' ' 24' ' ' ILE . 1.8 tt0 -74.76 -34.91 62.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.409 179.433 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.43 -31.82 65.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.037 179.32 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . 0.519 ' HB2' HD12 ' A' ' 20' ' ' LEU . 3.9 mm-40 -70.17 -49.36 51.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.906 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.759 HG22 ' O ' ' B' ' 20' ' ' LEU . 2.9 tt -64.91 -26.84 41.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 179.453 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 73.6 tt0 -64.41 -48.39 75.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.589 179.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 2.9 ttm180 -66.23 -39.26 89.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.818 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . 0.808 ' O ' HG22 ' B' ' 31' ' ' ILE . 11.3 m-70 -72.36 -19.64 61.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.091 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.497 ' HB2' HD12 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -79.15 -36.53 40.3 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.845 0.355 . . . . 0.0 110.546 179.686 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -75.66 -28.64 58.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.468 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 5.3 t -77.99 -41.73 35.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.887 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.808 HG22 ' O ' ' B' ' 27' ' ' HIS . 5.6 tp . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.947 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.426 ' HB3' ' HB ' ' B' ' 31' ' ' ILE . 11.9 m-70 . . . . . 0 CA--C 1.521 -0.151 0 CA-C-O 120.776 0.322 . . . . 0.0 110.469 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.502 ' N ' HD13 ' B' ' 31' ' ' ILE . . . -67.28 -55.9 12.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.389 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.81 -13.89 62.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.62 178.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.825 ' O ' HD13 ' A' ' 20' ' ' LEU . 4.9 mm-40 -83.18 -35.26 25.63 Favored 'General case' 0 N--CA 1.457 -0.09 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.158 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.615 ' C ' HD13 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -76.17 -34.95 27.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-O 120.85 0.357 . . . . 0.0 110.465 179.658 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -77.41 -39.24 47.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.468 179.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 -73.5 -27.45 61.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.599 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.825 HD13 ' O ' ' A' ' 16' ' ' GLU . 3.7 mp -72.46 -40.9 66.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.109 179.354 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.418 ' HA ' HG21 ' B' ' 24' ' ' ILE . 12.6 tt0 -61.71 -47.56 84.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.595 179.512 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.3 ttpt -63.64 -31.87 73.17 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.587 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.71 -35.46 77.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.959 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.744 HG23 ' O ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -66.75 -41.73 88.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.034 0.445 . . . . 0.0 110.126 179.888 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.42 -43.92 92.98 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.492 179.647 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.76 -49.0 74.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.333 179.552 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.29 -25.83 68.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.649 179.622 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.451 ' CB ' HG13 ' B' ' 17' ' ' ILE . 0.5 OUTLIER -73.81 -33.35 64.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.925 179.868 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -73.3 -32.91 64.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.793 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -75.11 -40.65 59.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.093 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.468 ' HB ' ' HB3' ' B' ' 13' ' ' HIS . 0.0 OUTLIER -76.88 -24.55 15.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.878 0.37 . . . . 0.0 111.105 -179.886 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.3 mmtt -81.0 -31.9 34.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.483 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 35.0 tttt . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.64 179.82 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 2.9 t . . . . . 0 N--CA 1.455 -0.209 0 CA-C-O 121.061 0.457 . . . . 0.0 110.17 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.525 ' CD2' ' ND1' ' B' ' 13' ' ' HIS . 0.1 OUTLIER -73.33 -48.36 34.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.213 179.682 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . 0.525 ' ND1' ' CD2' ' B' ' 12' ' ' HIS . 12.9 m-70 -60.44 -28.35 68.22 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.268 179.285 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . 0.503 ' O ' HG22 ' B' ' 17' ' ' ILE . . . -66.16 -56.27 12.2 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.364 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . 0.402 ' HG3' ' O ' ' B' ' 12' ' ' HIS . 0.2 OUTLIER -67.41 -14.27 62.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.61 178.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.822 ' O ' HD13 ' B' ' 20' ' ' LEU . 4.9 mm-40 -82.6 -34.62 27.58 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.066 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.625 ' C ' HD13 ' B' ' 17' ' ' ILE . 0.0 OUTLIER -76.44 -35.19 26.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 120.86 0.362 . . . . 0.0 110.404 179.735 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -77.42 -38.97 48.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.408 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 30.2 mmt180 -73.69 -27.71 61.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.526 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.822 HD13 ' O ' ' B' ' 16' ' ' GLU . 3.6 mp -72.49 -40.81 66.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.051 179.469 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.443 ' HA ' HG21 ' A' ' 24' ' ' ILE . 12.6 tt0 -61.76 -47.41 85.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.527 179.581 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 7.4 ttpt -63.77 -31.57 72.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.621 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.96 -35.29 76.59 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.994 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.732 HG22 ' HB3' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -66.94 -41.62 87.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.062 0.458 . . . . 0.0 110.103 179.909 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.58 -43.8 93.55 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.42 179.682 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.84 -49.04 74.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.256 179.537 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . 0.737 ' O ' HG22 ' B' ' 31' ' ' ILE . 0.2 OUTLIER -62.42 -26.11 68.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.402 179.334 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.461 ' HA ' ' CG2' ' B' ' 31' ' ' ILE . 0.4 OUTLIER -73.72 -28.97 61.99 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.886 179.824 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -76.29 -34.1 59.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.579 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 1.1 m -73.57 -41.12 63.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.773 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.737 HG22 ' O ' ' B' ' 27' ' ' HIS . 2.8 tp . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.498 ' HB2' HD13 ' B' ' 31' ' ' ILE . 7.8 m-70 . . . . . 0 CA--C 1.522 -0.122 0 CA-C-O 120.744 0.307 . . . . 0.0 110.2 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.44 ' N ' HD13 ' B' ' 31' ' ' ILE . . . -70.38 -55.2 9.67 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.089 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.6 -12.77 61.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.329 178.627 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.82 ' O ' HD23 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -83.29 -38.59 21.94 Favored 'General case' 0 N--CA 1.456 -0.175 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.165 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.662 HD12 ' CB ' ' B' ' 28' ' ' LYS . 2.6 tt -74.4 -34.37 36.14 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-O 120.877 0.37 . . . . 0.0 110.379 179.514 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -76.33 -41.65 47.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.573 179.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? -73.18 -25.02 60.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.659 179.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.82 HD23 ' O ' ' A' ' 16' ' ' GLU . 1.6 mm? -73.81 -39.67 63.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.942 179.418 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.415 ' CG ' HD13 ' B' ' 24' ' ' ILE . 3.2 mt-30 -62.67 -49.88 73.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.343 179.416 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.48 -29.51 70.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.44 179.628 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.21 -36.14 76.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.761 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.746 HG23 ' O ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -66.53 -41.73 88.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.036 0.446 . . . . 0.0 110.053 179.857 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.4 ' N ' HG13 ' A' ' 24' ' ' ILE . 10.9 tt0 -58.78 -43.87 90.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.391 179.556 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.5 tpp85 -56.1 -48.25 76.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.431 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.401 ' CG ' ' HB3' ' B' ' 16' ' ' GLU . 1.7 m-70 -63.59 -25.44 68.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.478 179.546 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.662 ' CB ' HD12 ' B' ' 17' ' ' ILE . 0.0 OUTLIER -72.35 -35.61 68.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.825 179.842 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -73.4 -31.54 63.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.975 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.3 t -73.47 -36.69 65.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.802 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.533 HD13 ' HB2' ' B' ' 13' ' ' HIS . 5.7 tp -71.11 -35.13 57.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.15 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.7 mmtp -76.4 -34.11 58.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.934 0.397 . . . . 0.0 110.76 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.3 mttt . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.449 179.77 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 18.2 p . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.776 0.322 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.58 ' CD2' ' CE1' ' B' ' 13' ' ' HIS . 0.0 OUTLIER -76.85 -42.57 39.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.52 -179.836 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . 0.58 ' CE1' ' CD2' ' B' ' 12' ' ' HIS . 7.8 m-70 -66.99 -25.58 66.38 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.146 179.122 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.1 -55.3 9.81 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.044 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.62 -12.69 61.67 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.283 178.628 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.82 ' O ' HD23 ' B' ' 20' ' ' LEU . 0.1 OUTLIER -83.44 -38.52 21.78 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.144 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.662 HD12 ' CB ' ' A' ' 28' ' ' LYS . 2.6 tt -74.53 -34.21 34.79 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-O 120.904 0.383 . . . . 0.0 110.339 179.559 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -76.5 -41.49 46.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.655 179.495 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? -73.23 -25.09 60.59 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.609 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.82 HD23 ' O ' ' B' ' 16' ' ' GLU . 1.6 mm? -73.64 -39.78 64.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 109.945 179.411 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.413 ' CG ' HD13 ' A' ' 24' ' ' ILE . 3.2 mt-30 -62.69 -49.77 73.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.402 179.449 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.53 -29.59 70.83 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.42 179.62 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.1 -36.04 77.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.794 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.728 HG23 ' O ' ' B' ' 20' ' ' LEU . 0.5 OUTLIER -66.62 -41.62 88.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.032 0.444 . . . . 0.0 110.057 179.854 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -58.88 -43.79 91.0 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.43 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 6.5 tpp85 -56.1 -48.43 76.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.389 179.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . 0.416 ' CG ' ' HB3' ' A' ' 16' ' ' GLU . 1.7 m-70 -63.39 -25.55 68.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.525 179.614 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.662 ' CB ' HD12 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -72.23 -35.84 68.97 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.828 179.876 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -73.24 -31.31 64.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.937 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 1.3 t -73.71 -36.67 65.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.786 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.498 HD13 ' HB2' ' A' ' 13' ' ' HIS . 5.7 tp . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.185 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.518 ' O ' HG23 ' A' ' 17' ' ' ILE . 14.2 m-70 . . . . . 0 N--CA 1.456 -0.174 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.443 ' N ' HG13 ' B' ' 31' ' ' ILE . . . -58.52 -52.75 64.31 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.298 179.713 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.0 tttt -60.3 -21.93 62.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.326 179.027 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.481 ' HB3' ' CE1' ' B' ' 27' ' ' HIS . 6.7 mm-40 -75.51 -39.01 59.01 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.258 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.874 HG22 ' HB3' ' B' ' 27' ' ' HIS . 1.1 pp -70.03 -34.61 60.36 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 CA-C-O 120.963 0.411 . . . . 0.0 110.978 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.431 ' N ' HG13 ' A' ' 17' ' ' ILE . 3.6 tt0 -73.51 -41.15 63.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.826 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.4 mtt180 -69.03 -30.79 69.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.573 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.63 ' O ' HG23 ' A' ' 24' ' ' ILE . 0.1 OUTLIER -69.36 -39.87 77.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.327 179.562 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.413 ' O ' HG13 ' A' ' 24' ' ' ILE . 4.8 tp-100 -61.72 -46.73 88.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.483 179.434 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.9 mtpt -60.9 -34.14 74.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.684 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.63 -39.47 88.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.007 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.63 HG23 ' O ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -62.27 -40.76 88.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.997 0.427 . . . . 0.0 110.2 179.88 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.417 ' N ' HG13 ' A' ' 24' ' ' ILE . 17.7 tp10 -61.9 -40.87 96.92 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.36 179.579 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.26 -43.29 78.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.157 179.513 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.848 ' HB3' HG22 ' B' ' 17' ' ' ILE . 0.2 OUTLIER -67.25 -28.11 67.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.167 179.394 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.54 ' HA ' HG22 ' A' ' 31' ' ' ILE . 1.4 tmmt? -73.59 -25.72 60.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.684 179.676 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -77.14 -39.41 49.31 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.67 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.25 -36.18 68.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.827 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.54 HG22 ' HA ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -76.26 -32.82 22.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.012 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.65 -27.67 51.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.662 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.629 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 2.3 t . . . . . 0 N--CA 1.454 -0.23 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.518 ' CD2' ' ND1' ' B' ' 13' ' ' HIS . 0.2 OUTLIER -72.77 -50.18 26.09 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.622 179.216 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . 0.532 ' O ' HG23 ' B' ' 17' ' ' ILE . 14.1 m-70 -58.25 -36.44 73.21 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.12 179.207 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . 0.448 ' N ' HG13 ' A' ' 31' ' ' ILE . . . -58.32 -52.49 65.36 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.311 179.691 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -60.73 -21.65 63.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.319 179.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.48 ' HB3' ' CE1' ' A' ' 27' ' ' HIS . 6.6 mm-40 -75.99 -38.2 57.68 Favored 'General case' 0 C--N 1.334 -0.097 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.271 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.848 HG22 ' HB3' ' A' ' 27' ' ' HIS . 1.1 pp -70.94 -34.24 54.96 Favored 'Isoleucine or valine' 0 C--O 1.232 0.168 0 CA-C-O 120.933 0.397 . . . . 0.0 110.976 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.427 ' N ' HG13 ' B' ' 17' ' ' ILE . 3.8 tt0 -74.23 -41.03 62.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.781 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 -68.34 -32.53 72.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.555 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.559 HD12 HG22 ' A' ' 24' ' ' ILE . 0.1 OUTLIER -66.52 -44.58 82.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.044 179.439 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.411 ' O ' HG13 ' B' ' 24' ' ' ILE . 4.7 tp-100 -57.2 -47.49 81.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.706 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 4.8 mtpt -60.23 -33.17 71.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.626 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.48 -39.34 85.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.131 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.595 HG22 HD12 ' A' ' 20' ' ' LEU . 0.6 OUTLIER -62.64 -40.28 87.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.987 0.422 . . . . 0.0 110.255 179.919 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . 0.41 ' N ' HG13 ' B' ' 24' ' ' ILE . 18.1 tp10 -62.2 -40.9 97.61 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.34 179.603 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.39 -42.93 78.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.143 179.477 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . 0.874 ' HB3' HG22 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -67.52 -28.24 67.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.154 179.357 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.545 ' HA ' HG22 ' B' ' 31' ' ' ILE . 1.4 tmmt? -73.63 -25.71 60.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.722 179.714 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -77.19 -39.47 48.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.621 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.2 -36.18 69.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.779 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.545 HG22 ' HA ' ' B' ' 28' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.065 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.949 ' O ' HG23 ' A' ' 17' ' ' ILE . 12.6 m-70 . . . . . 0 CA--C 1.52 -0.174 0 CA-C-O 120.753 0.311 . . . . 0.0 110.383 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.402 ' O ' HG13 ' A' ' 17' ' ' ILE . . . -68.72 -55.42 11.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.256 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -62.38 -19.15 63.11 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.215 178.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.553 ' O ' HD12 ' A' ' 20' ' ' LEU . 6.4 mm-40 -79.32 -37.83 36.66 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.949 HG23 ' O ' ' A' ' 13' ' ' HIS . 1.1 pp -73.54 -34.67 42.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 120.88 0.371 . . . . 0.0 111.076 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.415 ' N ' HG13 ' A' ' 17' ' ' ILE . 1.7 tt0 -76.77 -36.01 57.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.661 179.737 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 30.7 ttm180 -72.66 -32.57 65.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.631 179.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.707 ' O ' HG23 ' A' ' 24' ' ' ILE . 15.2 mt -70.74 -40.62 72.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.292 179.621 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.43 ' HA ' HG21 ' B' ' 24' ' ' ILE . 0.1 OUTLIER -62.51 -42.36 99.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.66 179.6 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.6 mtmt -63.66 -36.29 83.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.63 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -66.18 -39.38 89.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.026 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.707 HG23 ' O ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -62.11 -40.16 86.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.054 0.454 . . . . 0.0 110.073 179.81 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.413 ' N ' HG13 ' A' ' 24' ' ' ILE . 13.4 tt0 -61.26 -41.78 97.51 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.387 179.549 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -55.67 -43.9 76.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.037 179.41 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.916 ' HB3' HG22 ' B' ' 17' ' ' ILE . 0.2 OUTLIER -65.91 -30.22 70.78 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.56 179.061 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.461 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 1.8 tmmt? -67.75 -25.72 65.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.81 179.71 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -78.84 -38.31 38.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.709 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.9 p -72.56 -31.34 65.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.396 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.72 HG21 HG21 ' B' ' 17' ' ' ILE . 3.8 tp -82.4 -28.71 8.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.718 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -81.38 -26.42 35.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.62 179.719 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.2 ttpt . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.591 179.721 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.73 0.3 . . . . 0.0 110.976 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.534 ' CD2' ' CE1' ' B' ' 13' ' ' HIS . 0.1 OUTLIER -75.23 -46.72 32.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.425 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . 0.925 ' O ' HG23 ' B' ' 17' ' ' ILE . 12.7 m-70 -62.28 -27.83 69.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.711 0.291 . . . . 0.0 110.302 179.575 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . 0.4 ' O ' HG13 ' B' ' 17' ' ' ILE . . . -68.57 -55.58 11.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.236 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -62.35 -19.2 63.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.177 178.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.552 ' O ' HD12 ' B' ' 20' ' ' LEU . 6.4 mm-40 -79.27 -37.64 37.4 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.122 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.925 HG23 ' O ' ' B' ' 13' ' ' HIS . 1.1 pp -73.68 -34.72 42.05 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 CA-C-O 120.855 0.359 . . . . 0.0 110.984 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.414 ' N ' HG13 ' B' ' 17' ' ' ILE . 1.6 tt0 -76.7 -36.02 57.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.728 179.746 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 30.8 ttm180 -72.74 -32.56 65.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.587 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.71 ' O ' HG23 ' B' ' 24' ' ' ILE . 15.5 mt -70.79 -40.54 72.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.281 179.654 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.418 ' HA ' HG21 ' A' ' 24' ' ' ILE . 0.1 OUTLIER -62.63 -42.31 99.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.595 179.684 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 14.6 mtmt -63.52 -36.46 83.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.645 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -66.08 -39.45 90.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.002 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.71 HG23 ' O ' ' B' ' 20' ' ' LEU . 0.5 OUTLIER -62.25 -40.01 86.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.034 0.445 . . . . 0.0 110.101 179.86 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . 0.415 ' N ' HG13 ' B' ' 24' ' ' ILE . 13.5 tt0 -61.39 -41.56 97.32 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.409 179.497 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -55.92 -43.74 77.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.016 179.349 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . 0.901 ' HB3' HG22 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -66.18 -29.73 70.07 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.717 179.038 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.467 ' HA ' ' CG2' ' B' ' 31' ' ' ILE . 1.8 tmmt? -68.43 -25.5 65.05 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.699 179.628 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -78.93 -38.45 37.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.717 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 1.9 p -72.36 -31.72 65.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.245 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.693 HG22 ' O ' ' B' ' 27' ' ' HIS . 4.0 tp . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.672 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.578 ' HB2' HD13 ' B' ' 31' ' ' ILE . 16.3 m-70 . . . . . 0 CA--C 1.522 -0.117 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.1 -47.56 67.87 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.236 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.424 ' O ' ' CB ' ' A' ' 19' ' ' ARG . 1.8 tttp -71.1 -17.44 62.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.684 179.129 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.615 ' O ' HD12 ' A' ' 20' ' ' LEU . 9.8 mm-40 -83.34 -34.34 25.68 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.387 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.677 HD13 ' O ' ' A' ' 17' ' ' ILE . 0.0 OUTLIER -80.67 -31.18 12.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-O 120.946 0.403 . . . . 0.0 110.526 179.789 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -82.0 -36.41 27.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.304 179.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.424 ' CB ' ' O ' ' A' ' 15' ' ' LYS . 2.2 tpm_? -76.07 -31.79 58.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.333 179.463 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.796 ' HB3' HG22 ' B' ' 24' ' ' ILE . 18.8 mt -72.61 -39.89 66.94 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.995 179.4 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.402 ' O ' HG13 ' A' ' 24' ' ' ILE . 0.6 OUTLIER -62.84 -42.62 99.81 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.702 179.655 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.01 -38.23 90.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.747 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.31 -39.41 93.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.175 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.795 HG22 ' HB3' ' B' ' 20' ' ' LEU . 0.5 OUTLIER -63.87 -39.08 84.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.066 0.46 . . . . 0.0 110.24 179.935 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.408 ' N ' HG13 ' A' ' 24' ' ' ILE . 3.5 mt-10 -59.94 -43.97 94.64 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.504 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -56.04 -49.99 72.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.981 0.419 . . . . 0.0 110.262 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.61 ' O ' HG22 ' A' ' 31' ' ' ILE . 0.3 OUTLIER -65.16 -23.7 67.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.624 179.469 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.463 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 0.7 OUTLIER -77.98 -25.38 48.05 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.94 179.904 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -77.9 -39.52 42.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.615 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.6 p -71.04 -37.86 72.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.907 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.61 HG22 ' O ' ' A' ' 27' ' ' HIS . 5.2 tp -75.6 -28.34 19.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.999 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.2 ttpt -76.44 -28.76 56.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.72 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.685 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 11.0 p . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 121.123 0.487 . . . . 0.0 109.7 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.525 ' CD2' ' ND1' ' B' ' 13' ' ' HIS . 0.5 OUTLIER -77.77 -49.37 14.5 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.739 179.265 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . 0.565 ' HB2' HD13 ' A' ' 31' ' ' ILE . 16.4 m-70 -66.48 -25.72 66.85 Favored 'General case' 0 N--CA 1.457 -0.089 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.02 178.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.14 -47.63 67.57 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 120.987 0.422 . . . . 0.0 110.265 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . 0.424 ' O ' ' CB ' ' B' ' 19' ' ' ARG . 1.8 tttp -71.09 -17.4 62.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.687 179.117 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.617 ' O ' HD12 ' B' ' 20' ' ' LEU . 9.8 mm-40 -83.35 -34.32 25.66 Favored 'General case' 0 CA--C 1.527 0.089 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.464 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.675 HD13 ' O ' ' B' ' 17' ' ' ILE . 0.0 OUTLIER -80.62 -31.15 12.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.912 0.387 . . . . 0.0 110.581 179.675 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -82.04 -36.36 27.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.3 179.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . 0.424 ' CB ' ' O ' ' B' ' 15' ' ' LYS . 2.2 tpm_? -76.21 -31.69 58.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.304 179.51 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.795 ' HB3' HG22 ' A' ' 24' ' ' ILE . 18.9 mt -72.61 -39.84 66.96 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.052 179.315 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.406 ' O ' HG13 ' B' ' 24' ' ' ILE . 0.6 OUTLIER -62.85 -42.72 99.86 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.623 179.626 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.04 -38.15 90.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.677 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.33 -39.36 93.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.125 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.796 HG22 ' HB3' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -64.04 -39.0 83.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.976 0.417 . . . . 0.0 110.195 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . 0.412 ' N ' HG13 ' B' ' 24' ' ' ILE . 3.5 mt-10 -59.91 -43.9 94.58 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.617 179.759 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 26.6 ttm180 -56.11 -49.96 72.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.311 179.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . 0.607 ' O ' HG22 ' B' ' 31' ' ' ILE . 0.3 OUTLIER -65.06 -23.76 67.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.626 179.382 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.467 ' HA ' ' CG2' ' B' ' 31' ' ' ILE . 0.7 OUTLIER -78.02 -25.39 47.88 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -77.8 -39.73 42.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.586 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 11.7 p -70.83 -37.89 73.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.945 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.607 HG22 ' O ' ' B' ' 27' ' ' HIS . 5.1 tp . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.948 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.466 ' HB3' ' HB ' ' B' ' 31' ' ' ILE . 17.5 m-70 . . . . . 0 CA--C 1.522 -0.134 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.442 ' N ' HG13 ' B' ' 31' ' ' ILE . . . -65.22 -47.98 74.93 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.135 179.525 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -64.49 -25.08 67.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.201 179.119 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.473 ' HB3' ' CE1' ' B' ' 27' ' ' HIS . 0.1 OUTLIER -75.22 -36.04 61.4 Favored 'General case' 0 C--N 1.334 -0.095 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.101 179.878 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.583 HD12 ' CB ' ' B' ' 28' ' ' LYS . 2.4 tt -78.17 -24.78 13.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.748 0.309 . . . . 0.0 110.709 179.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -81.46 -35.61 30.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.956 0.407 . . . . 0.0 110.544 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 24.1 ttt-85 -74.11 -39.75 63.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.214 179.477 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.7 HD12 HG22 ' B' ' 24' ' ' ILE . 0.0 OUTLIER -67.41 -39.77 85.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.12 179.474 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.404 ' O ' HG13 ' A' ' 24' ' ' ILE . 11.5 tt0 -63.93 -37.34 87.04 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.603 179.651 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.43 -44.75 96.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.582 179.77 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -58.52 -45.88 87.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.973 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.686 HG22 HD12 ' B' ' 20' ' ' LEU . 0.6 OUTLIER -60.99 -35.45 65.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.092 0.472 . . . . 0.0 110.056 179.831 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.409 ' N ' HG13 ' A' ' 24' ' ' ILE . 1.5 tt0 -58.97 -43.06 91.27 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.452 179.638 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.3 ttt85 -58.45 -50.57 73.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.132 179.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.471 ' CE1' ' HB3' ' B' ' 16' ' ' GLU . 1.3 m-70 -62.23 -23.75 66.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.504 179.257 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.576 ' CB ' HD12 ' B' ' 17' ' ' ILE . 11.8 ttpt -78.75 -27.9 44.8 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.783 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.401 ' HG2' ' NZ ' ' A' ' 33' ' ' LYS . 0.6 OUTLIER -73.61 -38.2 65.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.631 179.889 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 59.7 p -71.31 -43.57 66.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.878 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.485 HG22 ' HA ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -74.55 -24.16 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.315 -179.828 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.447 ' NZ ' ' HE3' ' A' ' 28' ' ' LYS . 23.5 ttmt -82.36 -26.18 33.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.426 179.446 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.401 ' NZ ' ' HG2' ' A' ' 29' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.443 179.621 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.455 -0.194 0 CA-C-O 121.059 0.457 . . . . 0.0 109.819 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.529 ' CD2' ' CE1' ' B' ' 13' ' ' HIS . 0.3 OUTLIER -76.06 -48.4 20.99 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.725 -0.671 . . . . 0.0 109.814 179.365 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . 0.529 ' CE1' ' CD2' ' B' ' 12' ' ' HIS . 17.3 m-70 -65.47 -27.97 68.88 Favored 'General case' 0 CA--C 1.521 -0.15 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 178.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . 0.445 ' N ' HG13 ' A' ' 31' ' ' ILE . . . -64.91 -48.22 74.94 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.161 179.51 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -64.32 -25.1 67.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.303 179.11 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.471 ' HB3' ' CE1' ' A' ' 27' ' ' HIS . 0.1 OUTLIER -75.24 -36.04 61.35 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.15 179.826 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.576 HD12 ' CB ' ' A' ' 28' ' ' LYS . 2.4 tt -78.25 -24.82 13.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.759 0.314 . . . . 0.0 110.652 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -81.31 -35.74 30.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.481 179.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 24.5 ttt-85 -74.06 -39.72 63.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.206 179.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.686 HD12 HG22 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -67.42 -39.56 85.47 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.25 179.465 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -64.12 -37.3 86.97 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.509 179.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.36 -44.8 96.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.633 179.723 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -58.63 -45.96 88.1 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.974 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.7 HG22 HD12 ' A' ' 20' ' ' LEU . 0.6 OUTLIER -60.71 -35.79 66.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.072 0.463 . . . . 0.0 110.055 179.872 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . 0.415 ' N ' HG13 ' B' ' 24' ' ' ILE . 1.5 tt0 -58.62 -43.55 89.69 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.4 179.67 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 6.3 ttt85 -57.8 -50.54 72.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.084 179.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . 0.473 ' CE1' ' HB3' ' A' ' 16' ' ' GLU . 1.4 m-70 -62.52 -23.52 67.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.472 179.366 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.583 ' CB ' HD12 ' A' ' 17' ' ' ILE . 11.7 ttpt -78.89 -27.32 43.91 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -74.33 -38.12 63.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.557 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 59.8 p -71.43 -43.58 66.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.881 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.481 HG22 ' HA ' ' B' ' 28' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.198 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.589 ' HB2' HD13 ' B' ' 31' ' ' ILE . 15.9 m-70 . . . . . 0 N--CA 1.456 -0.174 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.27 -48.19 68.44 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.187 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.415 ' O ' ' CG ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -68.95 -18.41 64.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.538 179.094 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.566 ' O ' HD12 ' A' ' 20' ' ' LEU . 21.0 mm-40 -80.44 -38.61 29.75 Favored 'General case' 0 C--O 1.231 0.084 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.499 -179.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.73 HD13 ' O ' ' A' ' 17' ' ' ILE . 0.0 OUTLIER -78.14 -29.71 15.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.919 0.39 . . . . 0.0 110.763 179.871 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -81.08 -35.26 31.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.529 179.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.415 ' CG ' ' O ' ' A' ' 15' ' ' LYS . 71.5 mtp180 -74.55 -34.57 62.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.509 179.583 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.817 ' HB3' HG22 ' B' ' 24' ' ' ILE . 23.0 mt -71.03 -40.55 71.66 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.083 179.457 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.401 ' O ' HG13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -61.94 -40.6 96.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.758 179.729 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -42.72 99.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.725 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.66 -39.98 93.29 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.092 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.829 HG22 ' HB3' ' B' ' 20' ' ' LEU . 0.6 OUTLIER -63.63 -36.56 76.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.982 0.42 . . . . 0.0 110.077 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.41 ' N ' HG13 ' A' ' 24' ' ' ILE . 54.0 tt0 -60.88 -44.13 97.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.477 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 31.4 ttt-85 -56.42 -50.69 70.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.202 179.502 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.675 ' O ' HG22 ' A' ' 31' ' ' ILE . 0.2 OUTLIER -63.8 -24.32 67.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.487 179.359 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.46 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 6.3 ttmt -78.36 -24.69 46.31 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -76.83 -39.99 49.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.506 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.2 m -70.35 -40.93 73.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.737 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.675 HG22 ' O ' ' A' ' 27' ' ' HIS . 4.1 tp -75.92 -27.67 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.983 0.42 . . . . 0.0 110.885 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.4 ttmm -79.12 -26.26 42.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.715 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.9 ttpp . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.673 179.816 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 17.8 m . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.526 ' CD2' ' ND1' ' B' ' 13' ' ' HIS . 0.3 OUTLIER -77.26 -49.68 14.53 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.699 179.272 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . 0.592 ' HB2' HD13 ' A' ' 31' ' ' ILE . 15.9 m-70 -65.29 -26.79 68.22 Favored 'General case' 0 N--CA 1.457 -0.109 0 C-N-CA 120.714 -0.394 . . . . 0.0 109.998 178.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.18 -48.22 68.6 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.058 0.456 . . . . 0.0 110.254 179.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . 0.424 ' O ' ' CG ' ' B' ' 19' ' ' ARG . 0.0 OUTLIER -68.94 -18.38 64.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.577 179.066 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.578 ' O ' HD12 ' B' ' 20' ' ' LEU . 20.9 mm-40 -80.51 -38.63 29.42 Favored 'General case' 0 N--CA 1.458 -0.068 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.505 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.735 HD13 ' O ' ' B' ' 17' ' ' ILE . 0.0 OUTLIER -78.17 -29.58 15.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.758 0.313 . . . . 0.0 110.7 179.856 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -81.09 -35.34 31.82 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.508 179.402 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . 0.424 ' CG ' ' O ' ' B' ' 15' ' ' LYS . 71.5 mtp180 -74.55 -34.55 62.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.475 179.633 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.829 ' HB3' HG22 ' A' ' 24' ' ' ILE . 23.0 mt -71.06 -40.5 71.62 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.157 179.412 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.407 ' O ' HG13 ' B' ' 24' ' ' ILE . 0.0 OUTLIER -61.98 -40.65 96.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.713 179.707 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -42.74 99.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.697 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.56 -39.97 93.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.118 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.817 HG22 ' HB3' ' A' ' 20' ' ' LEU . 0.6 OUTLIER -63.73 -36.48 76.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.023 0.44 . . . . 0.0 110.135 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . 0.418 ' N ' HG13 ' B' ' 24' ' ' ILE . 53.9 tt0 -60.9 -44.09 97.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.525 179.729 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 31.2 ttt-85 -56.44 -50.7 70.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.169 179.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . 0.693 ' O ' HG22 ' B' ' 31' ' ' ILE . 0.2 OUTLIER -63.89 -24.21 67.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.443 179.419 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.461 ' HA ' ' CG2' ' B' ' 31' ' ' ILE . 6.3 ttmt -78.38 -24.68 46.25 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -76.88 -39.99 49.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.48 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 2.2 m -70.35 -40.9 73.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.738 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.693 HG22 ' O ' ' B' ' 27' ' ' HIS . 4.1 tp . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.839 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.91 ' O ' HG23 ' A' ' 17' ' ' ILE . 12.6 m-70 . . . . . 0 CA--C 1.52 -0.197 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.63 -55.71 18.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.444 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.407 ' O ' ' CB ' ' A' ' 19' ' ' ARG . 0.8 OUTLIER -63.93 -15.49 59.26 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.423 178.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.55 ' O ' HD12 ' A' ' 20' ' ' LEU . 5.1 mm-40 -84.05 -33.23 24.49 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.978 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.91 HG23 ' O ' ' A' ' 13' ' ' HIS . 1.0 OUTLIER -76.7 -37.37 28.66 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 CA-C-O 120.954 0.407 . . . . 0.0 110.429 179.821 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -77.81 -38.78 45.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.447 179.371 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.407 ' CB ' ' O ' ' A' ' 15' ' ' LYS . 7.1 ttt180 -73.43 -27.39 61.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.34 179.529 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.717 ' HB3' HG22 ' B' ' 24' ' ' ILE . 9.5 mt -71.44 -42.9 67.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.024 179.333 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.422 ' HA ' HG21 ' B' ' 24' ' ' ILE . 11.1 tt0 -61.1 -46.85 88.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.785 179.72 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.4 ttpp -62.4 -33.24 74.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.679 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -68.46 -36.49 79.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.96 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.714 HG23 ' O ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -65.14 -41.12 90.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.003 0.43 . . . . 0.0 110.15 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.407 ' N ' HG13 ' A' ' 24' ' ' ILE . 15.2 tt0 -61.1 -42.02 97.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.325 179.607 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.1 tpt85 -58.52 -39.76 81.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.263 179.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.784 ' HB3' HG22 ' B' ' 17' ' ' ILE . 0.2 OUTLIER -67.97 -27.75 66.85 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.94 179.352 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.475 ' HA ' HG22 ' A' ' 31' ' ' ILE . 1.2 ttmt -72.0 -32.59 67.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.689 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -69.69 -41.88 74.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.673 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.3 t -67.98 -42.34 80.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.106 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.772 HG21 HG21 ' B' ' 17' ' ' ILE . 5.6 tp -71.57 -24.83 23.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.169 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -78.59 -35.54 45.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.925 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.0 tttp . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.729 179.92 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.867 0.365 . . . . 0.0 110.665 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.513 ' CD2' ' ND1' ' B' ' 13' ' ' HIS . 0.2 OUTLIER -73.28 -48.24 36.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.314 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . 0.924 ' O ' HG23 ' B' ' 17' ' ' ILE . 13.2 m-70 -59.98 -30.27 69.01 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.268 179.556 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.24 -55.91 15.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.369 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.59 -15.85 59.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.389 179.02 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.534 ' O ' HD12 ' B' ' 20' ' ' LEU . 5.1 mm-40 -83.58 -33.69 25.34 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.962 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.924 HG23 ' O ' ' B' ' 13' ' ' HIS . 1.0 OUTLIER -76.07 -37.6 33.56 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 CA-C-O 120.948 0.404 . . . . 0.0 110.524 179.748 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -77.28 -38.89 49.87 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.446 179.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 -73.49 -27.07 61.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.364 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.75 ' O ' HG23 ' B' ' 24' ' ' ILE . 9.9 mt -72.27 -41.61 66.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.242 179.409 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.426 ' HA ' HG21 ' A' ' 24' ' ' ILE . 11.3 tt0 -62.65 -46.16 89.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.549 179.628 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 1.4 ttpp -63.16 -33.34 75.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.0 0.429 . . . . 0.0 110.704 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -68.23 -36.94 80.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.99 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.75 HG23 ' O ' ' B' ' 20' ' ' LEU . 0.5 OUTLIER -64.81 -41.18 91.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.978 0.418 . . . . 0.0 110.199 179.881 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . 0.408 ' N ' HG13 ' B' ' 24' ' ' ILE . 15.2 tt0 -60.9 -41.82 96.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.332 179.585 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 5.2 tpt85 -58.99 -39.3 81.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.229 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . 0.765 ' HB3' HG22 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -68.48 -26.97 65.74 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.056 179.356 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.477 ' HA ' HG22 ' B' ' 31' ' ' ILE . 1.3 ttmt -73.17 -32.27 64.75 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.578 179.644 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -69.82 -42.0 74.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.728 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 12.4 t -67.97 -42.54 80.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.984 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.771 HG21 HG21 ' A' ' 17' ' ' ILE . 5.8 tp . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.165 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.421 ' HB3' ' HB ' ' B' ' 31' ' ' ILE . 12.1 m-70 . . . . . 0 CA--C 1.522 -0.117 0 CA-C-O 120.708 0.29 . . . . 0.0 110.442 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.4 ' N ' HD13 ' B' ' 31' ' ' ILE . . . -71.0 -54.19 12.11 Favored 'General case' 0 CA--C 1.517 -0.304 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 179.661 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.3 mtpp -69.45 -10.84 59.77 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.427 178.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.804 ' O ' HD23 ' A' ' 20' ' ' LEU . 13.9 mm-40 -85.88 -37.74 18.81 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 116.576 -0.283 . . . . 0.0 111.115 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.594 HD12 ' CB ' ' B' ' 28' ' ' LYS . 3.4 tt -74.95 -33.08 28.68 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-O 120.925 0.393 . . . . 0.0 110.253 179.532 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -77.18 -40.89 43.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.653 179.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.415 ' NH1' ' OE1' ' A' ' 23' ' ' GLU . 16.1 ttp85 -73.65 -25.83 60.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.691 179.666 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.804 HD23 ' O ' ' A' ' 16' ' ' GLU . 2.0 mm? -74.29 -39.43 62.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.143 179.485 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.497 ' HG3' HD13 ' B' ' 24' ' ' ILE . 5.7 mt-30 -63.47 -47.45 81.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.358 179.509 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.61 -30.91 71.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.523 179.672 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.415 ' OE1' ' NH1' ' A' ' 19' ' ' ARG . 0.2 OUTLIER -68.2 -37.37 80.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.911 179.838 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.772 HG22 ' HB3' ' B' ' 20' ' ' LEU . 0.5 OUTLIER -65.38 -41.79 92.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.044 0.45 . . . . 0.0 109.924 179.783 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.413 ' N ' HG13 ' A' ' 24' ' ' ILE . 0.6 OUTLIER -58.34 -44.03 88.52 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.622 179.665 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.51 -50.2 70.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.014 0.435 . . . . 0.0 110.174 179.543 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.774 ' O ' HG22 ' A' ' 31' ' ' ILE . 45.8 m-70 -62.99 -25.4 68.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.363 179.337 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.597 ' CB ' HD12 ' B' ' 17' ' ' ILE . 15.2 ttpt -74.25 -27.74 60.9 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.97 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -76.92 -35.99 56.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.619 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.7 t -72.89 -40.61 65.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.901 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.774 HG22 ' O ' ' A' ' 27' ' ' HIS . 3.4 tp -74.89 -31.28 25.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.176 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.42 -23.61 34.77 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.943 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 43.8 tttt . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.398 -179.743 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.235 0.314 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.483 ' CE1' ' HG3' ' B' ' 16' ' ' GLU . 0.2 OUTLIER -68.27 -39.36 82.19 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.518 179.099 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . 0.432 ' HB3' ' HB ' ' A' ' 31' ' ' ILE . 12.1 m-70 -61.88 -25.97 67.87 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.463 179.328 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.94 -54.12 12.49 Favored 'General case' 0 CA--C 1.517 -0.292 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 179.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . 0.401 ' O ' ' HB2' ' B' ' 19' ' ' ARG . 3.3 mtpp -69.63 -10.86 59.91 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.324 178.573 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.799 ' O ' HD23 ' B' ' 20' ' ' LEU . 14.1 mm-40 -85.93 -37.6 18.9 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.167 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.597 HD12 ' CB ' ' A' ' 28' ' ' LYS . 3.5 tt -75.03 -33.13 28.38 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 CA-C-O 120.811 0.338 . . . . 0.0 110.211 179.516 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -77.14 -40.79 44.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.617 179.53 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . 0.417 ' NH1' ' OE1' ' B' ' 23' ' ' GLU . 16.5 ttp85 -73.82 -25.71 60.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.658 179.758 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.799 HD23 ' O ' ' B' ' 16' ' ' GLU . 1.9 mm? -74.37 -39.38 62.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.139 179.454 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.499 ' HG3' HD13 ' A' ' 24' ' ' ILE . 5.6 mt-30 -63.5 -47.45 81.68 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.387 179.42 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.59 -30.9 71.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.496 179.673 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . 0.417 ' OE1' ' NH1' ' B' ' 19' ' ' ARG . 0.2 OUTLIER -68.29 -37.28 80.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.855 179.914 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.768 HG22 ' HB3' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -65.39 -41.82 92.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.014 0.435 . . . . 0.0 109.964 179.72 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . 0.408 ' N ' HG13 ' B' ' 24' ' ' ILE . 0.6 OUTLIER -58.43 -43.97 88.96 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.531 179.754 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.58 -50.0 71.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.016 0.436 . . . . 0.0 110.217 179.554 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . 0.771 ' O ' HG22 ' B' ' 31' ' ' ILE . 45.3 m-70 -63.08 -25.55 68.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.294 179.334 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.594 ' CB ' HD12 ' A' ' 17' ' ' ILE . 15.1 ttpt -74.18 -27.97 61.07 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.916 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -76.72 -35.97 57.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.61 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 14.6 t -72.78 -40.71 65.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.902 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.771 HG22 ' O ' ' B' ' 27' ' ' HIS . 3.4 tp . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.298 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.673 ' HB2' HD13 ' B' ' 31' ' ' ILE . 13.2 m-70 . . . . . 0 CA--C 1.522 -0.134 0 CA-C-O 120.765 0.317 . . . . 0.0 110.309 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.08 -45.85 90.21 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.351 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.419 ' O ' ' CB ' ' A' ' 19' ' ' ARG . 1.1 pttt -69.86 -16.42 63.25 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.364 178.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.516 ' O ' HD12 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -78.95 -44.29 22.84 Favored 'General case' 0 CA--C 1.528 0.109 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.508 -179.751 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.579 HD12 ' CB ' ' B' ' 28' ' ' LYS . 2.6 tt -76.41 -30.6 19.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.893 0.378 . . . . 0.0 110.576 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -79.64 -31.7 41.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.597 179.628 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.419 ' CB ' ' O ' ' A' ' 15' ' ' LYS . 51.5 ttt-85 -74.62 -40.05 61.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.764 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.951 ' CB ' HG22 ' B' ' 24' ' ' ILE . 7.6 mt -69.83 -36.02 75.24 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 179.523 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.606 ' CG ' HD13 ' B' ' 24' ' ' ILE . 0.0 OUTLIER -62.27 -43.06 99.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.664 179.715 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.9 ttpt -61.2 -44.89 96.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.967 0.413 . . . . 0.0 110.51 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -58.46 -41.53 85.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.958 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.928 HG22 ' CB ' ' B' ' 20' ' ' LEU . 0.7 OUTLIER -64.86 -30.44 50.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.995 0.426 . . . . 0.0 110.321 179.935 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.427 ' N ' HG13 ' A' ' 24' ' ' ILE . 8.0 tt0 -62.72 -45.51 92.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.063 179.384 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -57.44 -50.68 72.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.086 179.274 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.79 ' O ' HG22 ' A' ' 31' ' ' ILE . 6.8 m-70 -65.51 -20.34 66.3 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.544 179.245 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.584 ' CB ' HD12 ' B' ' 17' ' ' ILE . 6.9 ttpt -79.97 -26.64 39.91 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.754 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -76.95 -38.73 52.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.431 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.43 -41.1 66.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.806 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.79 HG22 ' O ' ' A' ' 27' ' ' HIS . 4.2 tp -76.36 -27.02 17.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.959 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.414 ' CB ' ' O ' ' A' ' 28' ' ' LYS . 34.5 ttpt -80.66 -25.53 38.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.531 179.457 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.9 mttm . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.855 179.879 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 C--O 1.232 0.171 0 CA-C-O 121.03 0.443 . . . . 0.0 110.174 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.522 ' CD2' ' ND1' ' B' ' 13' ' ' HIS . 0.2 OUTLIER -69.47 -48.53 60.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.839 179.563 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . 0.662 ' HB2' HD13 ' A' ' 31' ' ' ILE . 13.2 m-70 -59.56 -32.93 70.8 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.333 179.329 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.22 -45.5 91.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.478 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . 0.426 ' O ' ' CB ' ' B' ' 19' ' ' ARG . 1.1 pttt -70.14 -16.64 63.12 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.331 178.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.513 ' O ' HD12 ' B' ' 20' ' ' LEU . 0.0 OUTLIER -78.53 -44.48 24.22 Favored 'General case' 0 N--CA 1.457 -0.085 0 CA-C-N 116.51 -0.313 . . . . 0.0 111.585 -179.881 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.584 HD12 ' CB ' ' A' ' 28' ' ' LYS . 2.6 tt -76.27 -30.93 20.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 120.847 0.356 . . . . 0.0 110.551 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -79.13 -31.48 44.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.679 179.481 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . 0.426 ' CB ' ' O ' ' B' ' 15' ' ' LYS . 51.2 ttt-85 -74.8 -40.19 61.28 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.822 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.928 ' CB ' HG22 ' A' ' 24' ' ' ILE . 6.4 mt -70.48 -34.47 72.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.872 0.368 . . . . 0.0 110.017 179.592 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.611 ' CG ' HD13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -63.45 -43.1 98.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.47 179.565 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 18.6 ttpt -61.44 -44.62 96.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.963 0.411 . . . . 0.0 110.529 179.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -58.35 -42.01 85.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.996 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.951 HG22 ' CB ' ' A' ' 20' ' ' LEU . 0.7 OUTLIER -64.58 -30.52 50.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.977 0.418 . . . . 0.0 110.213 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . 0.419 ' N ' HG13 ' B' ' 24' ' ' ILE . 8.1 tt0 -62.28 -45.72 91.99 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.043 179.45 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -57.32 -50.62 72.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.067 179.263 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . 0.804 ' O ' HG22 ' B' ' 31' ' ' ILE . 6.8 m-70 -65.59 -20.01 66.14 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.584 179.254 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.579 ' CB ' HD12 ' A' ' 17' ' ' ILE . 6.9 ttpt -80.36 -26.56 38.59 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.733 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -76.99 -38.64 52.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.452 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.42 -41.21 66.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.863 179.759 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.804 HG22 ' O ' ' B' ' 27' ' ' HIS . 4.3 tp . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.959 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.935 ' O ' HG23 ' A' ' 17' ' ' ILE . 13.3 m-70 . . . . . 0 CA--C 1.52 -0.199 0 CA-C-O 120.636 0.255 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.09 -55.28 19.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.426 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.0 mmtm -64.27 -15.21 59.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.534 179.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.564 ' O ' HD12 ' A' ' 20' ' ' LEU . 3.1 mm-40 -84.34 -33.62 23.83 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.901 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.935 HG23 ' O ' ' A' ' 13' ' ' HIS . 1.0 OUTLIER -76.23 -36.95 31.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 CA-C-O 120.99 0.424 . . . . 0.0 110.51 179.724 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -77.53 -40.01 44.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.291 179.286 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.0 -27.32 62.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.245 179.511 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.695 ' HB3' HG22 ' B' ' 24' ' ' ILE . 8.5 mt -71.19 -43.04 68.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.108 179.436 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.45 ' HA ' HG21 ' B' ' 24' ' ' ILE . 0.0 OUTLIER -60.65 -46.15 91.38 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.65 179.597 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.405 ' HA ' ' CE ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -62.68 -33.46 75.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.729 179.855 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -67.99 -37.26 81.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.049 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.701 HG22 ' HB3' ' B' ' 20' ' ' LEU . 0.5 OUTLIER -64.76 -40.81 90.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.066 0.46 . . . . 0.0 110.197 179.929 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.41 ' N ' HG13 ' A' ' 24' ' ' ILE . 0.2 OUTLIER -61.39 -41.15 96.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.314 179.566 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.9 ttp180 -58.31 -41.68 85.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.238 179.479 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.764 ' HB3' HG22 ' B' ' 17' ' ' ILE . 0.2 OUTLIER -66.83 -27.14 67.31 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.942 179.277 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.473 ' HA ' HG22 ' A' ' 31' ' ' ILE . 0.2 OUTLIER -72.4 -32.11 66.11 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.644 179.686 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -69.56 -41.61 75.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.682 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.84 -44.04 78.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.016 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.784 HG21 HG21 ' B' ' 17' ' ' ILE . 5.4 tp -70.19 -25.19 27.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.09 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.9 mtpp -77.6 -35.61 52.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.953 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.3 tptt . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.713 179.876 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.891 0.377 . . . . 0.0 110.734 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.514 ' CD2' ' ND1' ' B' ' 13' ' ' HIS . 0.2 OUTLIER -72.93 -48.9 32.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.284 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . 0.911 ' O ' HG23 ' B' ' 17' ' ' ILE . 13.4 m-70 -59.69 -30.18 68.61 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.339 179.543 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . 0.403 ' O ' HG13 ' B' ' 17' ' ' ILE . . . -65.26 -55.23 19.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.345 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 28.1 mmtm -64.18 -15.36 59.72 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.497 178.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.565 ' O ' HD12 ' B' ' 20' ' ' LEU . 3.1 mm-40 -84.17 -33.71 24.15 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.977 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.911 HG23 ' O ' ' B' ' 13' ' ' HIS . 1.0 OUTLIER -76.22 -37.0 31.47 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 CA-C-O 120.928 0.394 . . . . 0.0 110.44 179.783 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -77.47 -39.99 44.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.262 179.295 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.0 -27.31 62.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.313 179.516 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.701 ' HB3' HG22 ' A' ' 24' ' ' ILE . 8.5 mt -71.19 -43.05 68.19 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.156 179.404 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.45 ' HA ' HG21 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -60.63 -46.2 91.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.609 179.61 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . 0.413 ' CE ' ' HA ' ' B' ' 22' ' ' LYS . 0.0 OUTLIER -62.62 -33.52 75.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.729 179.845 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -67.96 -37.24 81.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.091 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.697 HG23 ' O ' ' B' ' 20' ' ' LEU . 0.5 OUTLIER -64.88 -40.66 89.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.074 0.464 . . . . 0.0 110.202 179.944 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . 0.412 ' N ' HG13 ' B' ' 24' ' ' ILE . 0.2 OUTLIER -61.52 -41.09 96.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.302 179.526 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 10.9 ttp180 -58.38 -41.7 85.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.175 179.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . 0.786 ' HB3' HG22 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -66.83 -27.1 67.27 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.966 179.276 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.475 ' HA ' HG22 ' B' ' 31' ' ' ILE . 0.2 OUTLIER -72.39 -32.11 66.13 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.653 179.645 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -69.63 -41.56 75.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.709 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.72 -44.12 78.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.98 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.778 HG21 HG21 ' A' ' 17' ' ' ILE . 5.4 tp . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.435 ' HB3' ' HB ' ' B' ' 31' ' ' ILE . 14.2 m-70 . . . . . 0 N--CA 1.456 -0.147 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.434 ' N ' HG13 ' B' ' 31' ' ' ILE . . . -65.32 -39.36 92.36 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.32 179.509 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 43.6 mttt -71.79 -23.47 61.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.433 179.193 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.424 ' CB ' ' CE1' ' B' ' 27' ' ' HIS . 0.3 OUTLIER -75.05 -41.62 58.67 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.224 179.897 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.705 HD12 ' CB ' ' B' ' 28' ' ' LYS . 2.2 tt -74.58 -34.21 34.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.745 0.307 . . . . 0.0 110.631 179.817 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -76.0 -29.47 58.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.436 179.611 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 18.8 ttp85 -73.32 -44.11 59.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.672 179.805 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.949 ' CB ' HG22 ' B' ' 24' ' ' ILE . 10.9 mt -66.31 -34.55 78.24 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.062 179.554 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.416 ' O ' HG13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -62.87 -44.04 97.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.63 179.642 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.3 mtpp -58.61 -46.52 86.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.591 179.684 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -57.76 -43.74 85.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.034 179.909 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.943 HG22 ' CB ' ' B' ' 20' ' ' LEU . 0.7 OUTLIER -63.18 -31.08 51.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 121.013 0.435 . . . . 0.0 110.188 179.934 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.425 ' N ' HG13 ' A' ' 24' ' ' ILE . 52.7 tt0 -61.6 -45.96 91.86 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.146 179.521 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.8 ttm-85 -57.22 -48.84 77.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.06 179.255 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.473 ' O ' HG22 ' A' ' 31' ' ' ILE . 0.2 OUTLIER -64.27 -22.78 67.07 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.616 179.313 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.704 ' CB ' HD12 ' B' ' 17' ' ' ILE . 0.0 OUTLIER -77.59 -30.13 52.33 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.87 179.968 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -74.41 -36.8 63.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.468 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.6 m -73.8 -42.66 60.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.904 179.872 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.473 HG22 ' O ' ' A' ' 27' ' ' HIS . 0.0 OUTLIER -76.69 -21.69 14.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.222 179.897 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.414 ' CB ' ' O ' ' A' ' 28' ' ' LYS . 3.9 ttmt -83.76 -28.46 28.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.927 0.394 . . . . 0.0 110.374 179.527 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.331 -0.215 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.505 179.71 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 26.8 t . . . . . 0 N--CA 1.454 -0.227 0 CA-C-O 121.061 0.458 . . . . 0.0 109.835 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.558 ' CD2' ' CE1' ' B' ' 13' ' ' HIS . 0.2 OUTLIER -73.54 -48.22 34.72 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.859 179.539 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . 0.558 ' CE1' ' CD2' ' B' ' 12' ' ' HIS . 14.2 m-70 -63.89 -30.95 71.99 Favored 'General case' 0 CA--C 1.521 -0.153 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 178.968 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . 0.447 ' N ' HG13 ' A' ' 31' ' ' ILE . . . -65.23 -39.47 92.78 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.248 179.659 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 43.6 mttt -71.56 -23.59 61.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.36 179.265 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.449 ' OE2' ' CE1' ' B' ' 12' ' ' HIS . 0.3 OUTLIER -74.88 -41.94 58.81 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.15 -179.979 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.704 HD12 ' CB ' ' A' ' 28' ' ' LYS . 2.2 tt -74.33 -34.24 36.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.791 0.329 . . . . 0.0 110.653 179.869 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -76.01 -29.36 58.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.493 179.616 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 18.9 ttp85 -73.37 -44.13 59.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.663 179.808 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.943 ' CB ' HG22 ' A' ' 24' ' ' ILE . 10.8 mt -66.28 -34.6 78.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.1 179.511 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.416 ' O ' HG13 ' B' ' 24' ' ' ILE . 0.0 OUTLIER -62.8 -44.17 96.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.562 179.695 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 7.2 mtpp -58.49 -46.58 86.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.613 179.747 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -57.67 -43.8 85.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.009 179.878 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.949 HG22 ' CB ' ' A' ' 20' ' ' LEU . 0.6 OUTLIER -63.04 -31.2 51.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.993 0.425 . . . . 0.0 110.203 179.927 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . 0.428 ' N ' HG13 ' B' ' 24' ' ' ILE . 52.5 tt0 -61.67 -45.89 92.09 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.125 179.569 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 2.8 ttm-85 -57.22 -48.82 77.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.066 179.223 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . 0.478 ' O ' HG22 ' B' ' 31' ' ' ILE . 0.2 OUTLIER -64.32 -22.84 67.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.617 179.318 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.705 ' CB ' HD12 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -77.57 -30.15 52.47 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 179.942 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -74.25 -36.82 63.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.606 179.832 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 3.6 m -73.87 -42.52 60.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.831 179.881 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.486 HG22 ' HA ' ' B' ' 28' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.173 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.609 ' HB2' HD13 ' B' ' 31' ' ' ILE . 16.3 m-70 . . . . . 0 CA--C 1.522 -0.121 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.88 -49.58 65.17 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.179 179.694 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.6 tttt -68.14 -19.44 64.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.423 179.004 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.403 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 10.8 mm-40 -78.4 -38.39 41.73 Favored 'General case' 0 C--N 1.334 -0.087 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.476 -179.828 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.721 HD13 ' O ' ' A' ' 17' ' ' ILE . 0.0 OUTLIER -78.35 -27.97 14.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.836 0.351 . . . . 0.0 110.788 179.872 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -80.56 -34.45 35.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.376 179.423 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.3 mmt85 -73.45 -39.75 64.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.273 179.538 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.751 HD12 HG22 ' B' ' 24' ' ' ILE . 0.0 OUTLIER -66.52 -40.85 89.39 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.145 179.464 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.413 ' HA ' HG21 ' B' ' 24' ' ' ILE . 8.5 tt0 -60.32 -42.37 95.44 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.654 179.62 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.4 ttmt -59.94 -40.65 89.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.599 179.726 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.41 -47.88 83.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.107 179.946 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.755 HG22 HD12 ' B' ' 20' ' ' LEU . 0.6 OUTLIER -58.7 -36.14 58.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.048 0.451 . . . . 0.0 110.084 179.914 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.409 ' N ' HG13 ' A' ' 24' ' ' ILE . 0.5 OUTLIER -59.59 -43.95 93.51 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.435 179.632 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -55.75 -49.14 73.9 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.074 179.451 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.597 ' O ' HG22 ' A' ' 31' ' ' ILE . 0.5 OUTLIER -63.43 -25.92 68.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.283 179.265 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.468 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 5.5 ttmt -76.54 -25.37 54.03 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.869 179.911 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -75.72 -40.1 56.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.608 179.788 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 19.1 m -68.8 -41.73 78.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.88 179.812 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.627 HD13 ' HB2' ' B' ' 13' ' ' HIS . 4.2 tp -72.64 -26.42 23.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.949 179.884 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -75.99 -34.39 59.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.543 179.611 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.0 tmmm? . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.438 179.574 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 81.1 p . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 120.98 0.419 . . . . 0.0 109.939 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.532 ' CD2' ' ND1' ' B' ' 13' ' ' HIS . 0.5 OUTLIER -78.24 -48.83 14.92 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.822 -0.627 . . . . 0.0 109.903 179.428 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . 0.627 ' HB2' HD13 ' A' ' 31' ' ' ILE . 16.3 m-70 -66.82 -25.85 66.65 Favored 'General case' 0 C--N 1.333 -0.13 0 C-N-CA 120.433 -0.507 . . . . 0.0 109.931 178.804 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.93 -49.61 64.99 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.14 179.672 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 17.5 tttt -68.08 -19.48 64.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.453 178.997 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.402 ' O ' ' HB2' ' B' ' 20' ' ' LEU . 10.8 mm-40 -78.38 -38.42 41.81 Favored 'General case' 0 C--N 1.334 -0.077 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.442 -179.806 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.726 HD13 ' O ' ' B' ' 17' ' ' ILE . 0.0 OUTLIER -78.37 -27.95 14.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.843 0.354 . . . . 0.0 110.768 179.924 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -80.5 -34.5 35.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.401 179.381 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 2.4 mmt85 -73.43 -39.67 64.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.3 179.531 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.755 HD12 HG22 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -66.65 -40.82 88.83 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.108 179.519 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -60.32 -42.33 95.37 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.659 179.619 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 3.4 ttmt -59.96 -40.72 90.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.575 179.728 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.33 -47.9 83.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 179.934 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.751 HG22 HD12 ' A' ' 20' ' ' LEU . 0.6 OUTLIER -58.73 -36.13 59.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.01 0.433 . . . . 0.0 110.045 179.949 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . 0.41 ' N ' HG13 ' B' ' 24' ' ' ILE . 0.5 OUTLIER -59.58 -44.02 93.45 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.427 179.623 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -55.69 -49.13 73.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.07 179.44 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . 0.604 ' O ' HG22 ' B' ' 31' ' ' ILE . 0.4 OUTLIER -63.47 -25.93 68.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.271 179.279 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.455 ' HA ' ' CG2' ' B' ' 31' ' ' ILE . 5.4 ttmt -76.51 -25.34 54.09 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.879 179.886 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -75.8 -40.1 55.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.569 179.811 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 19.2 m -68.81 -41.75 78.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.851 179.853 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.609 HD13 ' HB2' ' A' ' 13' ' ' HIS . 4.2 tp . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.931 179.94 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.494 ' HB3' ' HB ' ' B' ' 31' ' ' ILE . 16.1 m-70 . . . . . 0 N--CA 1.454 -0.227 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.83 -34.94 79.31 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-O 121.243 0.544 . . . . 0.0 109.95 179.215 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.7 ttpt -74.43 -24.71 59.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.053 178.829 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.489 ' HB3' ' CG ' ' B' ' 27' ' ' HIS . 0.0 OUTLIER -74.09 -42.9 59.4 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.601 179.998 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.747 HD12 ' CB ' ' B' ' 28' ' ' LYS . 1.4 tt -74.79 -27.32 20.35 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-O 120.894 0.378 . . . . 0.0 110.417 179.642 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.99 -36.2 59.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.82 179.649 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -73.28 -43.01 61.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.63 179.799 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.812 ' O ' HG23 ' A' ' 24' ' ' ILE . 1.4 tp -68.62 -33.01 73.3 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.013 179.627 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.42 -41.73 96.44 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.394 179.418 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.48 -46.02 91.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.41 179.554 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.474 ' C ' HD23 ' B' ' 20' ' ' LEU . 0.2 OUTLIER -56.63 -44.78 81.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.75 179.645 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.812 HG23 ' O ' ' A' ' 20' ' ' LEU . 0.6 OUTLIER -68.4 -24.19 29.24 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.054 179.629 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.449 ' HA ' ' CG ' ' A' ' 28' ' ' LYS . 0.2 OUTLIER -73.84 -25.64 60.18 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.553 179.84 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -78.0 -45.83 22.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.448 179.644 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.486 ' CG ' ' HB3' ' B' ' 16' ' ' GLU . 1.2 m-70 -72.74 -25.83 61.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.089 179.842 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.748 ' CB ' HD12 ' B' ' 17' ' ' ILE . 0.0 OUTLIER -80.96 -29.73 35.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.82 0.343 . . . . 0.0 110.279 179.659 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.42 ' HB2' ' HE2' ' A' ' 28' ' ' LYS . 35.1 tt0 -70.46 -39.71 74.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.392 179.532 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.68 -44.26 67.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.749 179.767 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.598 HG22 ' HA ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -70.12 -23.64 25.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.145 -179.948 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.59 ' HD2' HG23 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -78.44 -33.34 48.54 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.618 179.611 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.9 mttm . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.594 179.831 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 1.5 t . . . . . 0 N--CA 1.455 -0.211 0 N-CA-C 109.724 -0.472 . . . . 0.0 109.724 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.532 ' CD2' ' ND1' ' B' ' 13' ' ' HIS . 0.3 OUTLIER -69.8 -50.3 44.35 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.513 179.194 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . 0.532 ' ND1' ' CD2' ' B' ' 12' ' ' HIS . 16.4 m-70 -63.51 -27.6 69.38 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 178.633 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.93 -34.85 79.07 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.211 0.529 . . . . 0.0 109.891 179.252 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 4.8 ttpt -74.56 -24.66 58.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.934 178.895 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.486 ' HB3' ' CG ' ' A' ' 27' ' ' HIS . 0.0 OUTLIER -74.18 -42.79 59.31 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.552 -179.979 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.748 HD12 ' CB ' ' A' ' 28' ' ' LYS . 1.4 tt -74.86 -27.38 20.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.793 0.33 . . . . 0.0 110.318 179.64 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.01 -36.23 59.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.746 179.731 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -73.26 -43.1 61.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.62 179.806 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.81 ' O ' HG23 ' B' ' 24' ' ' ILE . 1.4 tp -68.55 -32.95 73.24 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.073 179.567 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.44 -41.74 96.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.378 179.439 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.48 -46.01 91.64 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.444 179.551 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . 0.472 ' C ' HD23 ' A' ' 20' ' ' LEU . 0.3 OUTLIER -56.74 -44.65 81.88 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.768 179.711 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.81 HG23 ' O ' ' B' ' 20' ' ' LEU . 0.6 OUTLIER -68.45 -24.25 29.2 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.022 179.579 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . 0.451 ' HA ' ' CG ' ' B' ' 28' ' ' LYS . 0.2 OUTLIER -73.78 -25.65 60.24 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.605 179.809 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -77.98 -45.91 22.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.411 179.662 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . 0.489 ' CG ' ' HB3' ' A' ' 16' ' ' GLU . 1.2 m-70 -72.68 -25.83 61.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.072 179.873 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.747 ' CB ' HD12 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -80.99 -29.73 35.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.925 0.393 . . . . 0.0 110.294 179.669 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . 0.414 ' HB2' ' HE2' ' B' ' 28' ' ' LYS . 35.2 tt0 -70.52 -39.54 74.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.392 179.539 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.78 -44.28 66.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.695 179.758 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.597 HG22 ' HA ' ' B' ' 28' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.213 -179.956 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.923 ' O ' HG23 ' A' ' 17' ' ' ILE . 11.0 m-70 . . . . . 0 C--O 1.224 -0.246 0 N-CA-C 110.369 -0.234 . . . . 0.0 110.369 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.401 ' O ' HG13 ' A' ' 17' ' ' ILE . . . -65.41 -56.37 12.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.875 0.369 . . . . 0.0 110.236 -179.944 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.4 ' O ' ' CG ' ' A' ' 19' ' ' ARG . 0.2 OUTLIER -64.15 -15.82 60.6 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.228 178.676 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.833 ' O ' HD23 ' A' ' 20' ' ' LEU . 12.8 tp10 -82.6 -33.78 27.87 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.041 179.887 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.923 HG23 ' O ' ' A' ' 13' ' ' HIS . 1.1 pp -74.57 -36.43 41.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 CA-C-O 120.928 0.394 . . . . 0.0 110.554 179.684 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -76.18 -41.53 49.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.403 179.443 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.4 ' CG ' ' O ' ' A' ' 15' ' ' LYS . 1.4 mmp_? -70.94 -26.45 63.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.444 179.565 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.833 HD23 ' O ' ' A' ' 16' ' ' GLU . 1.4 mm? -70.98 -43.47 67.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.99 179.354 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.448 ' HA ' HG21 ' B' ' 24' ' ' ILE . 12.0 tt0 -59.55 -49.29 78.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.651 179.617 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.403 ' O ' ' HE3' ' A' ' 22' ' ' LYS . 0.1 OUTLIER -63.35 -34.29 77.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.936 0.398 . . . . 0.0 110.621 179.837 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -64.85 -34.88 79.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.952 179.896 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.724 HG23 ' O ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -67.67 -42.74 86.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.009 0.433 . . . . 0.0 109.95 179.889 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.405 ' N ' HG13 ' A' ' 24' ' ' ILE . 2.5 tt0 -59.81 -41.57 91.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.306 179.504 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.19 -38.66 83.95 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.235 179.435 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.771 ' HB3' HG22 ' B' ' 17' ' ' ILE . 0.8 OUTLIER -66.36 -28.27 68.52 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.06 179.282 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.479 ' HG2' HD13 ' B' ' 17' ' ' ILE . 32.8 mtpt -72.82 -30.88 64.4 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.672 179.59 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -70.63 -40.63 72.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.673 179.867 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.47 -44.14 75.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.904 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.758 HG21 HG21 ' B' ' 17' ' ' ILE . 5.4 tp -70.35 -25.78 27.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.194 -179.94 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.9 mtpt -79.21 -32.91 44.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.025 179.926 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.8 tttt . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 179.946 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 21.2 m . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.88 0.371 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.427 ' CD2' ' ND1' ' B' ' 13' ' ' HIS . 0.2 OUTLIER -72.31 -43.36 64.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.314 -179.976 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . 0.915 ' O ' HG23 ' B' ' 17' ' ' ILE . 11.2 m-70 -61.11 -32.65 72.33 Favored 'General case' 0 CA--C 1.519 -0.219 0 C-N-CA 120.914 -0.314 . . . . 0.0 110.437 179.576 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . 0.407 ' O ' HG13 ' B' ' 17' ' ' ILE . . . -65.36 -56.22 13.8 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.247 -179.947 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . 0.408 ' O ' ' CG ' ' B' ' 19' ' ' ARG . 0.2 OUTLIER -64.38 -15.68 60.91 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.181 178.688 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.825 ' O ' HD23 ' B' ' 20' ' ' LEU . 12.6 tp10 -82.66 -33.82 27.64 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.964 179.857 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.915 HG23 ' O ' ' B' ' 13' ' ' HIS . 1.1 pp -74.6 -36.54 41.28 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.158 0 CA-C-O 121.002 0.429 . . . . 0.0 110.565 179.739 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -76.37 -40.96 49.7 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.369 179.475 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . 0.408 ' CG ' ' O ' ' B' ' 15' ' ' LYS . 1.5 mmp_? -71.28 -26.2 62.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.458 179.501 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.825 HD23 ' O ' ' B' ' 16' ' ' GLU . 1.4 mm? -71.1 -43.7 67.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.004 179.483 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.453 ' HA ' HG21 ' A' ' 24' ' ' ILE . 10.9 tt0 -60.39 -47.69 85.0 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.562 179.506 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.59 -31.68 72.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.659 179.737 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . 0.409 ' OE1' ' CD1' ' A' ' 20' ' ' LEU . 33.2 tt0 -69.77 -34.15 73.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.08 -179.883 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.717 HG23 ' O ' ' B' ' 20' ' ' LEU . 0.5 OUTLIER -67.67 -42.56 86.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.036 0.446 . . . . 0.0 110.063 179.858 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . 0.404 ' N ' HG13 ' B' ' 24' ' ' ILE . 2.4 tt0 -59.99 -41.58 92.37 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.238 179.425 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.13 -38.37 82.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.234 179.388 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . 0.789 ' HB3' HG22 ' A' ' 17' ' ' ILE . 0.8 OUTLIER -66.69 -28.28 68.32 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.978 179.31 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.472 ' HG2' HD13 ' A' ' 17' ' ' ILE . 33.0 mtpt -73.02 -30.64 63.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.635 179.694 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -70.8 -40.56 72.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.807 179.729 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.43 -44.2 75.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.803 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.753 HG21 HG21 ' A' ' 17' ' ' ILE . 5.4 tp . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.233 -179.943 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.476 ' HB3' ' HB ' ' B' ' 31' ' ' ILE . 19.4 m-70 . . . . . 0 N--CA 1.457 -0.106 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.538 ' N ' HD13 ' B' ' 31' ' ' ILE . . . -67.82 -46.0 73.1 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.322 179.795 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.413 ' O ' ' CB ' ' A' ' 19' ' ' ARG . 9.9 tttp -70.99 -20.28 62.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.584 179.328 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.564 ' O ' HD12 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -80.0 -35.63 37.1 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.48 -179.858 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.461 ' C ' HD13 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -79.6 -33.68 15.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.842 0.353 . . . . 0.0 110.587 179.882 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -80.13 -30.84 39.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.495 179.48 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.429 ' O ' ' CG ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -76.7 -38.93 53.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.628 179.779 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.917 ' HB3' HG22 ' B' ' 24' ' ' ILE . 17.6 mt -71.36 -33.97 70.04 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.331 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.417 ' O ' HG13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -63.64 -45.77 88.71 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.948 179.781 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.429 ' CG ' ' O ' ' A' ' 19' ' ' ARG . 6.0 pttt -61.69 -40.87 96.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.939 0.4 . . . . 0.0 110.464 179.737 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.423 ' N ' ' HG3' ' A' ' 22' ' ' LYS . 0.3 OUTLIER -59.69 -42.77 93.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.834 179.681 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.877 HG22 ' HB3' ' B' ' 20' ' ' LEU . 0.7 OUTLIER -63.58 -31.83 54.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 121.064 0.459 . . . . 0.0 110.049 179.771 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.424 ' N ' HG13 ' A' ' 24' ' ' ILE . 4.3 tt0 -61.57 -43.66 98.44 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.184 179.506 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -58.81 -50.84 72.45 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.192 179.308 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.562 ' CD2' HD11 ' B' ' 20' ' ' LEU . 21.2 m-70 -65.51 -19.44 65.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.492 179.184 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.479 ' HA ' HG22 ' A' ' 31' ' ' ILE . 4.6 ttmt -77.62 -32.53 53.51 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.702 179.826 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -72.8 -39.72 66.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.582 179.929 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.52 -39.7 77.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.832 179.811 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.527 HG22 ' O ' ' A' ' 27' ' ' HIS . 7.2 tp -74.53 -26.66 20.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.205 -179.957 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.2 ttmt -79.99 -29.79 39.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.761 179.896 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.3 tptt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.608 179.779 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.249 0 CA-C-O 121.025 0.441 . . . . 0.0 109.869 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.533 ' CD2' ' ND1' ' B' ' 13' ' ' HIS . 0.5 OUTLIER -79.0 -48.56 14.22 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.846 179.389 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . 0.533 ' ND1' ' CD2' ' B' ' 12' ' ' HIS . 17.6 m-70 -68.25 -26.78 65.85 Favored 'General case' 0 CA--C 1.522 -0.103 0 C-N-CA 120.494 -0.482 . . . . 0.0 109.923 178.706 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . 0.413 ' N ' HD13 ' A' ' 31' ' ' ILE . . . -68.04 -45.78 72.97 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.379 -179.921 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . 0.417 ' O ' ' CB ' ' B' ' 19' ' ' ARG . 9.7 tttp -71.43 -20.12 62.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.526 179.187 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.575 ' O ' HD12 ' B' ' 20' ' ' LEU . 0.0 OUTLIER -80.28 -35.79 35.39 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.54 -179.876 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.457 ' C ' HD13 ' B' ' 17' ' ' ILE . 0.0 OUTLIER -79.89 -33.1 14.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.832 0.349 . . . . 0.0 110.531 179.834 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -80.33 -30.83 38.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.508 179.36 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . 0.425 ' O ' ' CG ' ' B' ' 22' ' ' LYS . 0.0 OUTLIER -76.92 -38.67 52.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.708 179.721 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.877 ' HB3' HG22 ' A' ' 24' ' ' ILE . 17.1 mt -71.76 -33.18 68.43 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 179.286 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.415 ' O ' HG13 ' B' ' 24' ' ' ILE . 0.0 OUTLIER -64.4 -45.87 85.78 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.833 179.605 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . 0.425 ' CG ' ' O ' ' B' ' 19' ' ' ARG . 6.1 pttt -61.58 -40.9 96.44 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.878 0.37 . . . . 0.0 110.444 179.83 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . 0.419 ' N ' ' HG3' ' B' ' 22' ' ' LYS . 0.3 OUTLIER -59.6 -43.27 93.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.779 179.69 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.917 HG22 ' HB3' ' A' ' 20' ' ' LEU . 0.7 OUTLIER -63.58 -31.04 51.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.998 0.428 . . . . 0.0 110.029 179.873 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . 0.431 ' HA ' ' HE2' ' B' ' 28' ' ' LYS . 4.2 tt0 -62.23 -43.59 98.49 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.139 179.605 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -58.71 -49.79 76.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.041 179.317 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . 0.782 ' O ' HG22 ' B' ' 31' ' ' ILE . 21.4 m-70 -65.73 -21.17 66.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.67 179.422 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.451 ' HA ' ' CG2' ' B' ' 31' ' ' ILE . 15.6 ttpt -75.83 -33.57 60.07 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.546 179.652 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -71.5 -38.33 71.17 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.492 179.933 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.22 -41.78 69.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.168 179.892 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.782 HG22 ' O ' ' B' ' 27' ' ' HIS . 4.5 tp . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.139 -179.942 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.684 ' HB2' HD13 ' B' ' 31' ' ' ILE . 9.2 m-70 . . . . . 0 CA--C 1.521 -0.164 0 CA-C-O 120.808 0.337 . . . . 0.0 110.241 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.11 -47.73 70.27 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.873 179.587 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.68 -17.52 64.61 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.255 178.716 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.482 ' HB3' ' CE1' ' B' ' 27' ' ' HIS . 25.7 mm-40 -77.15 -47.79 19.42 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.433 -179.846 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.714 HD12 ' CB ' ' B' ' 28' ' ' LYS . 3.4 tt -73.84 -28.16 23.79 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-O 120.921 0.391 . . . . 0.0 110.644 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -79.34 -32.2 43.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.227 179.371 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 37.7 ttt180 -70.03 -45.0 68.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.542 179.567 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.931 ' CB ' HG22 ' B' ' 24' ' ' ILE . 4.1 mt -66.07 -38.22 87.77 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.108 179.498 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.408 ' O ' HG13 ' A' ' 24' ' ' ILE . 9.4 tt0 -62.28 -34.24 76.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.547 179.673 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.7 ttmt -63.88 -50.63 68.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.431 179.513 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -56.55 -42.8 79.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.834 179.721 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.918 HG22 ' CB ' ' B' ' 20' ' ' LEU . 0.6 OUTLIER -64.19 -30.06 49.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.813 179.696 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.426 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 5.2 tt0 -60.99 -46.29 91.33 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.112 179.47 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 63.3 ttt180 -58.5 -46.05 87.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.126 0.489 . . . . 0.0 110.045 179.217 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.738 ' O ' HG22 ' A' ' 31' ' ' ILE . 0.3 OUTLIER -66.62 -21.53 66.12 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.994 179.518 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.729 ' CB ' HD12 ' B' ' 17' ' ' ILE . 0.0 OUTLIER -80.93 -25.94 37.08 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.836 0.35 . . . . 0.0 110.744 -179.993 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -73.81 -43.15 59.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.148 179.602 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.23 -49.21 68.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.663 179.577 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.738 HG22 ' O ' ' A' ' 27' ' ' HIS . 4.3 tp -67.9 -27.37 37.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.173 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.423 ' CB ' ' O ' ' A' ' 28' ' ' LYS . 21.2 ttmt -79.21 -21.14 46.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.981 179.784 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.351 -179.807 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 3.6 p . . . . . 0 N--CA 1.451 -0.41 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.526 ' CD2' ' CE1' ' B' ' 13' ' ' HIS . 0.0 OUTLIER -68.9 -45.81 69.94 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.603 178.732 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . 0.697 ' HB2' HD13 ' A' ' 31' ' ' ILE . 9.2 m-70 -59.98 -27.75 67.1 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.234 179.158 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.46 -48.07 71.08 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.876 179.701 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.36 -17.32 64.7 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.285 178.566 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.486 ' HB3' ' CE1' ' A' ' 27' ' ' HIS . 25.7 mm-40 -77.21 -47.54 19.97 Favored 'General case' 0 CA--C 1.528 0.113 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.582 -179.904 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.729 HD12 ' CB ' ' A' ' 28' ' ' LYS . 3.4 tt -74.1 -28.15 23.09 Favored 'Isoleucine or valine' 0 C--O 1.231 0.124 0 CA-C-O 120.93 0.395 . . . . 0.0 110.598 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -79.24 -32.26 43.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.263 179.344 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 37.3 ttt180 -70.19 -45.08 67.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.505 179.62 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.918 ' CB ' HG22 ' A' ' 24' ' ' ILE . 4.2 mt -65.9 -38.26 88.27 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.074 179.474 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.409 ' O ' HG13 ' B' ' 24' ' ' ILE . 9.4 tt0 -62.27 -34.35 76.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.591 179.63 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 13.6 ttmt -63.77 -50.41 69.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.488 179.555 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -56.86 -42.71 80.21 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.835 179.672 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.931 HG22 ' CB ' ' A' ' 20' ' ' LEU . 0.6 OUTLIER -64.18 -29.67 47.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.066 0.46 . . . . 0.0 109.81 179.7 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . 0.432 ' HA ' ' HG2' ' B' ' 28' ' ' LYS . 5.2 tt0 -61.57 -46.77 88.45 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.125 179.522 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 62.5 ttt180 -57.95 -45.99 85.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.101 0.477 . . . . 0.0 110.032 179.22 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . 0.814 ' O ' HG22 ' B' ' 31' ' ' ILE . 0.3 OUTLIER -66.55 -22.56 66.15 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.894 179.589 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.714 ' CB ' HD12 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -79.69 -26.27 41.0 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.804 0.335 . . . . 0.0 110.793 -179.962 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -73.77 -42.74 60.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.255 179.619 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.81 -47.74 71.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.866 179.667 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.814 HG22 ' O ' ' B' ' 27' ' ' HIS . 3.6 tp . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.985 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.639 ' HB2' HD13 ' B' ' 31' ' ' ILE . 3.4 m-70 . . . . . 0 CA--C 1.52 -0.174 0 CA-C-O 120.751 0.31 . . . . 0.0 110.272 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.8 -49.01 64.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.085 179.793 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 47.8 mttm -67.46 -20.42 65.48 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.48 179.07 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.463 ' O ' HD23 ' A' ' 20' ' ' LEU . 6.9 mm-40 -77.09 -42.03 39.78 Favored 'General case' 0 C--N 1.334 -0.09 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.598 -179.752 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.861 HD13 ' O ' ' A' ' 17' ' ' ILE . 0.0 OUTLIER -77.93 -25.88 14.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.851 0.358 . . . . 0.0 110.604 179.883 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -80.07 -32.5 39.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.131 179.281 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.7 ttp85 -72.74 -47.49 46.47 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.299 179.453 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.888 ' HB3' HG22 ' B' ' 24' ' ' ILE . 2.9 mm? -65.05 -37.71 88.46 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.729 179.224 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.406 ' O ' HG13 ' A' ' 24' ' ' ILE . 1.0 OUTLIER -62.34 -35.12 78.11 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.328 179.453 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.6 ttpt -61.46 -51.02 70.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.392 179.602 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -56.86 -44.17 81.92 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.674 179.734 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.905 HG22 ' HB3' ' B' ' 20' ' ' LEU . 0.7 OUTLIER -62.66 -29.09 46.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.701 179.633 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -67.27 -36.21 81.11 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.301 179.689 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.48 -53.63 51.94 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.828 179.279 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.62 ' O ' HG22 ' A' ' 31' ' ' ILE . 0.2 OUTLIER -64.79 -23.49 67.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.049 178.875 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.489 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 23.4 ttmt -77.81 -24.71 48.67 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.97 179.805 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -75.5 -42.95 51.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.382 179.748 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 50.7 m -66.37 -43.89 84.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.875 179.764 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.62 HG22 ' O ' ' A' ' 27' ' ' HIS . 4.0 tp -70.18 -32.7 51.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.161 -179.9 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -76.66 -19.46 57.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.825 179.423 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.332 -0.182 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.263 -179.768 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.451 -0.407 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.575 ' CD2' ' CE1' ' B' ' 13' ' ' HIS . 0.0 OUTLIER -71.27 -39.3 71.63 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.961 179.1 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . 0.575 ' CE1' ' CD2' ' B' ' 12' ' ' HIS . 3.5 m-70 -66.3 -26.71 67.44 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-O 120.779 0.323 . . . . 0.0 110.284 179.034 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.6 -49.07 62.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.145 179.829 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 47.6 mttm -67.27 -20.69 65.68 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.454 179.001 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.466 ' CB ' ' CE1' ' A' ' 27' ' ' HIS . 7.0 mm-40 -76.64 -42.51 41.81 Favored 'General case' 0 CA--C 1.527 0.093 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.532 -179.883 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.845 HD13 ' O ' ' B' ' 17' ' ' ILE . 0.0 OUTLIER -77.4 -25.92 15.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.832 0.349 . . . . 0.0 110.647 179.913 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -80.0 -32.56 39.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.245 179.32 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 4.7 ttp85 -72.59 -47.37 48.47 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.311 179.458 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.905 ' HB3' HG22 ' A' ' 24' ' ' ILE . 2.9 mm? -65.34 -37.59 87.55 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.728 179.32 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.408 ' O ' HG13 ' B' ' 24' ' ' ILE . 1.0 OUTLIER -62.22 -35.32 78.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.296 179.392 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 14.6 ttpt -61.38 -51.12 70.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.423 179.635 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -56.72 -44.1 81.28 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.756 179.657 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.888 HG22 ' HB3' ' A' ' 20' ' ' LEU . 0.7 OUTLIER -62.56 -29.36 46.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.656 179.637 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -67.03 -36.29 81.75 Favored 'General case' 0 N--CA 1.456 -0.144 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.341 179.704 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.38 -53.44 54.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.906 179.3 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . 0.486 ' O ' HG22 ' B' ' 31' ' ' ILE . 0.2 OUTLIER -65.14 -22.99 67.0 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.142 178.79 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.481 ' HA ' ' CG2' ' B' ' 31' ' ' ILE . 22.9 ttmt -78.63 -23.91 45.58 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.969 179.838 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -76.23 -43.54 41.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.321 179.726 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 51.6 m -65.32 -44.81 86.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.734 179.538 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.639 HD13 ' HB2' ' A' ' 13' ' ' HIS . 5.1 tp . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.284 179.99 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.669 ' O ' HG23 ' A' ' 17' ' ' ILE . 18.2 m-70 . . . . . 0 CA--C 1.52 -0.177 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.31 -50.18 66.67 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.451 179.735 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.4 mtpm? -58.14 -32.06 67.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.062 179.344 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.488 ' HB3' ' CE1' ' B' ' 27' ' ' HIS . 0.0 OUTLIER -65.25 -51.28 61.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.946 179.794 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.809 HG22 ' HB3' ' B' ' 27' ' ' HIS . 0.9 OUTLIER -62.35 -22.44 29.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.902 -179.98 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -76.16 -37.29 58.12 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.428 179.818 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -65.31 -51.38 60.99 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.199 179.444 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.611 ' CB ' HG22 ' B' ' 24' ' ' ILE . 4.5 mt -59.93 -43.62 94.81 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 179.192 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.448 ' NE2' ' NE2' ' B' ' 21' ' ' GLN . 0.4 OUTLIER -60.27 -29.31 68.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.354 179.476 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.0 ttpt -62.86 -48.22 79.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.991 179.481 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -59.27 -49.33 78.27 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.66 179.508 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.606 HG22 ' CB ' ' B' ' 20' ' ' LEU . 0.6 OUTLIER -60.37 -26.87 38.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.93 179.68 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -68.98 -35.58 76.88 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.02 179.532 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 11.4 ttt180 -62.01 -48.52 79.93 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.84 179.069 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.831 ' HB3' HG22 ' B' ' 17' ' ' ILE . 0.2 OUTLIER -66.05 -28.61 68.97 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.66 178.852 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.556 ' HA ' HG22 ' A' ' 31' ' ' ILE . 2.0 ttmt -76.65 -19.6 57.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.826 179.621 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.439 ' HA ' ' CD ' ' A' ' 32' ' ' LYS . 9.5 tt0 -78.19 -41.9 33.14 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.855 0.36 . . . . 0.0 110.495 179.845 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.64 -40.27 73.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.849 179.838 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.556 HG22 ' HA ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -74.13 -33.37 35.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.316 -179.769 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.439 ' CD ' ' HA ' ' A' ' 29' ' ' GLN . 12.0 pttt -78.17 -24.48 47.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.748 0.309 . . . . 0.0 110.316 179.449 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.7 mtpt . . . . . 0 C--N 1.331 -0.218 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.376 179.494 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.526 ' CD2' ' ND1' ' B' ' 13' ' ' HIS . 0.7 OUTLIER -78.31 -51.76 9.64 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.424 179.064 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . 0.654 ' O ' HG23 ' B' ' 17' ' ' ILE . 19.0 m-70 -63.89 -28.38 69.8 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 178.841 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.1 -50.35 66.43 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.425 179.746 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 3.3 mtpm? -57.63 -32.37 67.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.08 179.369 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.454 ' HB3' ' CE1' ' A' ' 27' ' ' HIS . 0.1 OUTLIER -64.87 -51.77 60.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.982 179.716 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.831 HG22 ' HB3' ' A' ' 27' ' ' HIS . 0.9 OUTLIER -61.84 -22.4 28.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.907 -179.962 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -76.03 -37.41 58.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.468 179.835 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -65.43 -51.53 59.62 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.143 179.437 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.606 ' CB ' HG22 ' A' ' 24' ' ' ILE . 4.4 mt -59.91 -43.12 95.07 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.681 179.184 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.448 ' NE2' ' NE2' ' A' ' 21' ' ' GLN . 0.4 OUTLIER -60.93 -28.98 69.34 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.36 179.413 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 5.0 ttpt -63.1 -47.98 80.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.973 179.435 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -59.47 -49.06 79.25 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.734 179.554 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.611 HG22 ' CB ' ' A' ' 20' ' ' LEU . 0.6 OUTLIER -60.75 -26.83 39.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.854 179.618 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -68.82 -35.68 77.28 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.024 179.507 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 11.3 ttt180 -62.05 -48.39 80.46 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.683 179.074 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . 0.809 ' HB3' HG22 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -66.26 -27.94 68.33 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.838 178.864 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.557 ' HA ' HG22 ' B' ' 31' ' ' ILE . 1.9 ttmt -77.64 -19.3 55.67 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.774 179.456 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -78.39 -41.79 32.16 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.545 179.768 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.63 -40.6 73.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.874 179.729 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.557 HG22 ' HA ' ' B' ' 28' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.413 -179.838 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.935 ' O ' HG23 ' A' ' 17' ' ' ILE . 14.8 m-70 . . . . . 0 N--CA 1.455 -0.187 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.79 -49.65 61.19 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.351 179.982 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.0 mmtp -65.98 -22.44 66.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.177 179.075 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.519 ' CB ' ' CE1' ' B' ' 27' ' ' HIS . 3.6 mm-40 -76.08 -38.94 56.4 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.179 179.915 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.935 HG23 ' O ' ' A' ' 13' ' ' HIS . 0.9 OUTLIER -72.74 -36.89 54.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-O 120.879 0.371 . . . . 0.0 110.933 -179.858 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -75.56 -26.71 58.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.388 179.527 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.6 ttt-85 -72.57 -45.74 57.74 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.704 179.776 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.795 ' CB ' HG22 ' B' ' 24' ' ' ILE . 1.2 mt -66.0 -37.48 86.03 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.903 0.383 . . . . 0.0 110.245 179.713 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.413 ' O ' HG13 ' A' ' 24' ' ' ILE . 7.6 tt0 -62.86 -38.5 91.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.426 179.557 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.5 ttpt -59.92 -48.92 79.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.351 179.545 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.698 ' OE1' HD22 ' B' ' 20' ' ' LEU . 0.2 OUTLIER -54.63 -44.86 73.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.668 179.744 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.804 HG22 ' CB ' ' B' ' 20' ' ' LEU . 0.7 OUTLIER -61.53 -32.49 53.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 179.621 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.421 ' O ' ' CG ' ' A' ' 28' ' ' LYS . 1.2 tt0 -59.33 -44.7 92.59 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.139 179.46 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.1 ttp85 -60.84 -37.92 83.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.137 0.494 . . . . 0.0 109.99 179.234 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.927 ' HB3' HG22 ' B' ' 17' ' ' ILE . 0.2 OUTLIER -70.9 -23.38 62.27 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.594 179.623 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.477 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 0.0 OUTLIER -78.24 -27.75 47.68 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.946 0.403 . . . . 0.0 110.539 179.805 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.405 ' N ' ' HG3' ' A' ' 28' ' ' LYS . 16.7 tt0 -72.69 -43.68 62.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.254 179.479 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 86.7 p -66.37 -47.7 72.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.748 179.683 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.739 HG22 ' O ' ' A' ' 27' ' ' HIS . 5.9 tp -69.8 -24.62 26.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.092 179.884 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.413 ' CB ' ' O ' ' A' ' 28' ' ' LYS . 6.8 ttmt -78.94 -25.62 43.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.757 179.769 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.6 mtmt . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.535 179.711 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 12.1 p . . . . . 0 N--CA 1.454 -0.267 0 CA-C-O 121.061 0.458 . . . . 0.0 109.771 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.528 ' CD2' ' ND1' ' B' ' 13' ' ' HIS . 0.7 OUTLIER -79.0 -48.48 14.37 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.806 179.343 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . 0.928 ' O ' HG23 ' B' ' 17' ' ' ILE . 14.8 m-70 -66.74 -27.2 67.42 Favored 'General case' 0 CA--C 1.521 -0.169 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.027 179.008 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.72 -49.66 61.46 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.422 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 3.0 mmtp -65.97 -22.42 66.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.249 178.981 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.516 ' CB ' ' CE1' ' A' ' 27' ' ' HIS . 3.6 mm-40 -76.05 -39.07 56.34 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.154 179.9 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.928 HG23 ' O ' ' B' ' 13' ' ' HIS . 0.9 OUTLIER -72.57 -37.05 55.62 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 CA-C-O 120.851 0.357 . . . . 0.0 110.925 -179.845 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -75.45 -26.76 58.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.414 179.555 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 10.6 ttt-85 -72.61 -45.7 57.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.688 179.777 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.804 ' CB ' HG22 ' A' ' 24' ' ' ILE . 1.2 mt -65.93 -37.59 86.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.967 0.413 . . . . 0.0 110.26 179.667 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.413 ' O ' HG13 ' B' ' 24' ' ' ILE . 7.6 tt0 -62.82 -38.43 90.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.421 179.596 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 2.5 ttpt -60.02 -48.85 80.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.364 179.588 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . 0.694 ' OE1' HD22 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -54.66 -44.82 73.62 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.669 179.648 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.795 HG22 ' CB ' ' A' ' 20' ' ' LEU . 0.7 OUTLIER -61.6 -32.45 53.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 179.658 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . 0.427 ' O ' ' CG ' ' B' ' 28' ' ' LYS . 1.2 tt0 -59.35 -44.7 92.62 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.163 179.439 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 13.1 ttp85 -60.89 -37.94 83.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.956 179.234 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . 0.896 ' HB3' HG22 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -70.82 -23.4 62.35 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.622 179.576 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.472 ' HA ' ' CG2' ' B' ' 31' ' ' ILE . 0.0 OUTLIER -78.24 -27.74 47.68 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.916 0.388 . . . . 0.0 110.543 179.805 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -72.68 -43.75 62.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.233 179.478 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 86.5 p -66.36 -47.58 72.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.783 179.673 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.742 HG22 ' O ' ' B' ' 27' ' ' HIS . 5.9 tp . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.032 179.883 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.917 ' O ' HG23 ' A' ' 17' ' ' ILE . 17.0 m-70 . . . . . 0 C--O 1.226 -0.151 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.75 -44.77 66.08 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.604 -179.883 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 42.0 tttt -68.34 -28.27 67.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.079 0.466 . . . . 0.0 109.941 179.159 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.518 ' CB ' ' CE1' ' B' ' 27' ' ' HIS . 0.1 OUTLIER -69.21 -45.88 68.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.962 179.717 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.963 HG22 ' HB3' ' B' ' 27' ' ' HIS . 0.6 OUTLIER -65.49 -40.81 89.37 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 CA-C-O 120.983 0.42 . . . . 0.0 110.448 -179.957 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -66.21 -25.77 67.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.593 179.472 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.88 -48.52 58.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.118 -179.881 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.744 HD13 HD13 ' B' ' 20' ' ' LEU . 3.3 mm? -71.14 -25.43 62.57 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.805 0.336 . . . . 0.0 110.735 -179.929 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.466 ' HA ' HG22 ' A' ' 24' ' ' ILE . 6.2 tt0 -77.49 -30.53 53.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.463 179.539 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.45 -42.22 71.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.257 179.493 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.458 ' HB3' HD12 ' B' ' 20' ' ' LEU . 0.4 OUTLIER -64.21 -46.99 81.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.639 179.6 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.874 ' O ' HD13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -63.71 -27.83 43.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.227 179.527 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -63.75 -47.82 79.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.546 179.563 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -63.64 -40.82 97.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.478 179.656 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.936 ' HB3' HG22 ' B' ' 17' ' ' ILE . 0.2 OUTLIER -71.23 -19.66 62.34 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.62 179.399 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.462 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 13.6 ttmm -77.6 -33.52 53.79 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.42 179.655 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -71.81 -39.41 69.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.453 179.612 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.5 p -70.19 -43.73 70.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.049 179.79 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.801 HG22 ' O ' ' A' ' 27' ' ' HIS . 5.2 tp -72.14 -24.53 22.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.047 179.933 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.32 -34.91 48.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.561 179.629 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.7 ttmt . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.417 179.581 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.243 0 CA-C-O 121.006 0.431 . . . . 0.0 109.945 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.527 ' CD2' ' ND1' ' B' ' 13' ' ' HIS . 0.6 OUTLIER -78.61 -46.03 20.24 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.898 179.55 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . 0.934 ' O ' HG23 ' B' ' 17' ' ' ILE . 17.0 m-70 -70.25 -25.6 63.44 Favored 'General case' 0 C--O 1.225 -0.208 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.26 178.942 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.88 -44.54 66.1 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.616 -179.822 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 41.7 tttt -68.49 -28.2 66.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.024 0.44 . . . . 0.0 109.961 179.161 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.526 ' CB ' ' CE1' ' A' ' 27' ' ' HIS . 0.1 OUTLIER -69.23 -46.05 68.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.949 179.717 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.936 HG22 ' HB3' ' A' ' 27' ' ' HIS . 0.6 OUTLIER -65.34 -40.79 89.59 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.175 0 CA-C-O 121.001 0.429 . . . . 0.0 110.427 -179.978 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -66.32 -25.72 66.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.617 179.476 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.84 -48.42 58.99 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.16 -179.998 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.744 HD13 HD13 ' A' ' 20' ' ' LEU . 3.2 mm? -71.21 -25.42 62.5 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.841 0.353 . . . . 0.0 110.747 -179.92 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.471 ' HA ' HG22 ' B' ' 24' ' ' ILE . 6.3 tt0 -77.49 -30.62 53.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.45 179.516 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.42 -42.28 71.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.207 179.485 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . 0.452 ' HB3' HD12 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -64.23 -46.99 81.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.592 179.664 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.852 HD13 ' O ' ' B' ' 24' ' ' ILE . 0.0 OUTLIER -63.7 -27.71 43.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.861 0.362 . . . . 0.0 110.309 179.474 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -63.9 -47.73 79.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.472 179.553 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -63.64 -40.83 97.85 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.513 179.642 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . 0.963 ' HB3' HG22 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -71.16 -19.82 62.37 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.574 179.378 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.458 ' HA ' ' CG2' ' B' ' 31' ' ' ILE . 13.6 ttmm -77.37 -33.55 55.23 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.498 179.682 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -71.8 -39.43 69.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.474 179.616 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 10.7 p -70.3 -43.46 70.32 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.006 179.843 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.817 HG22 ' O ' ' B' ' 27' ' ' HIS . 5.2 tp . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.05 179.977 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.941 ' O ' HG23 ' A' ' 17' ' ' ILE . 9.3 m-70 . . . . . 0 C--O 1.225 -0.202 0 CA-C-O 120.497 0.189 . . . . 0.0 110.806 . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.27 -53.14 21.3 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 179.954 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.401 ' O ' ' CG ' ' A' ' 19' ' ' ARG . 2.7 mmtt -65.74 -15.23 62.64 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.296 178.724 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.499 ' HG2' ' CE1' ' B' ' 27' ' ' HIS . 16.7 tp10 -82.87 -37.75 23.88 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.942 179.792 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.941 HG23 ' O ' ' A' ' 13' ' ' HIS . 1.0 OUTLIER -73.28 -37.62 52.22 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 CA-C-O 120.892 0.377 . . . . 0.0 110.706 179.814 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -75.05 -36.05 61.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.569 179.655 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.407 ' O ' ' CG ' ' A' ' 22' ' ' LYS . 1.1 mmm-85 -71.24 -32.98 69.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.716 179.835 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.891 ' HB3' HG22 ' B' ' 24' ' ' ILE . 17.9 mt -70.18 -39.02 75.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.211 179.579 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.403 ' O ' HG13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -62.29 -45.23 94.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.939 179.846 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.407 ' CG ' ' O ' ' A' ' 19' ' ' ARG . 1.8 ptmt -63.82 -34.2 77.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.848 0.356 . . . . 0.0 110.737 179.945 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -67.27 -37.9 84.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.111 179.896 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.876 HG22 ' HB3' ' B' ' 20' ' ' LEU . 0.5 OUTLIER -64.62 -40.5 89.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.11 0.481 . . . . 0.0 110.212 179.848 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.413 ' N ' HG13 ' A' ' 24' ' ' ILE . 7.9 tt0 -61.12 -41.5 96.82 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.52 179.627 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.4 ttt85 -57.49 -44.14 84.72 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.978 179.374 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.925 ' HB3' HG22 ' B' ' 17' ' ' ILE . 0.2 OUTLIER -69.13 -24.73 64.13 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.922 178.985 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.473 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 17.2 ttmt -73.09 -26.89 61.42 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.822 179.826 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -77.04 -42.5 38.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.456 179.694 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.06 -40.64 87.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.01 179.886 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.76 HG22 ' O ' ' A' ' 27' ' ' HIS . 3.9 tp -71.34 -35.67 58.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 -179.924 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.5 ttpp -74.71 -20.63 59.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.975 179.751 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.7 tttp . . . . . 0 C--N 1.332 -0.156 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.504 -179.591 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 2.8 t . . . . . 0 C--O 1.235 0.308 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -72.18 -33.51 67.73 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.875 179.235 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . 0.94 ' O ' HG23 ' B' ' 17' ' ' ILE . 9.3 m-70 -66.65 -31.94 72.95 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.847 179.653 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.35 -53.09 21.28 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 179.962 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt -65.66 -15.42 62.76 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.319 178.686 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.5 ' HG2' ' CE1' ' A' ' 27' ' ' HIS . 16.7 tp10 -82.61 -37.89 24.36 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.957 179.776 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.94 HG23 ' O ' ' B' ' 13' ' ' HIS . 1.0 OUTLIER -73.36 -37.4 51.24 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 CA-C-O 120.931 0.396 . . . . 0.0 110.789 179.883 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -75.22 -35.56 61.46 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.604 179.603 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . 0.412 ' O ' ' CG ' ' B' ' 22' ' ' LYS . 1.1 mmm-85 -71.6 -33.15 68.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.686 179.844 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.876 ' HB3' HG22 ' A' ' 24' ' ' ILE . 17.1 mt -70.38 -38.57 74.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.123 179.496 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.406 ' O ' HG13 ' B' ' 24' ' ' ILE . 0.2 OUTLIER -61.43 -46.29 90.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.78 179.669 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . 0.412 ' CG ' ' O ' ' B' ' 19' ' ' ARG . 1.8 ptmt -63.93 -34.18 77.4 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 180.0 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -67.15 -37.63 84.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.079 179.991 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.891 HG22 ' HB3' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -65.0 -40.56 89.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.959 0.409 . . . . 0.0 110.074 179.899 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . 0.414 ' N ' HG13 ' B' ' 24' ' ' ILE . 7.9 tt0 -60.97 -41.55 96.61 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.541 179.661 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 1.4 ttt85 -57.58 -44.19 85.13 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.046 179.395 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . 0.88 ' HB3' HG22 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -69.07 -24.68 64.19 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.86 178.976 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.491 ' HA ' ' CG2' ' B' ' 31' ' ' ILE . 17.3 ttmt -73.13 -26.9 61.4 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.828 179.867 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -77.0 -42.55 38.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.461 179.689 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.05 -40.5 87.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.046 179.877 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.775 HG22 ' O ' ' B' ' 27' ' ' HIS . 3.8 tp . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.956 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.587 ' O ' HG22 ' A' ' 17' ' ' ILE . 10.2 m-70 . . . . . 0 N--CA 1.462 0.158 0 CA-C-O 120.66 0.266 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.54 -40.18 30.15 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-O 120.909 0.385 . . . . 0.0 110.662 -179.777 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.71 -25.08 49.1 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.423 179.249 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.29 -38.03 31.58 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.835 179.699 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.846 HD13 ' O ' ' A' ' 17' ' ' ILE . 0.0 OUTLIER -76.03 -34.74 27.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.718 179.719 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -78.46 -27.79 46.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.882 0.372 . . . . 0.0 110.826 179.79 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.2 ttt85 -80.31 -34.64 36.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.35 -179.77 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.555 ' O ' HG22 ' A' ' 24' ' ' ILE . 89.5 mt -79.73 -26.41 40.79 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 179.995 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.433 ' HB2' HG13 ' B' ' 24' ' ' ILE . 0.6 OUTLIER -75.0 -39.01 61.44 Favored 'General case' 0 C--N 1.333 -0.136 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 178.575 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.9 ttpt -61.94 -46.9 87.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.163 179.257 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.95 -51.57 69.48 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.506 179.57 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.705 ' O ' HD13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -64.84 -19.0 24.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.927 179.516 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -71.17 -39.41 71.91 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.079 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.3 mtp180 -66.08 -49.2 68.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.221 179.259 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.835 ' O ' HG22 ' A' ' 31' ' ' ILE . 3.2 m-70 -66.43 -23.89 66.37 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.319 179.256 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.464 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 0.7 OUTLIER -78.22 -24.82 46.86 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.045 179.975 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -78.4 -38.18 42.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.481 179.725 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.22 -42.91 62.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.71 179.721 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.835 HG22 ' O ' ' A' ' 27' ' ' HIS . 4.3 tp -73.23 -30.9 32.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.942 179.938 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.423 ' CB ' ' O ' ' A' ' 28' ' ' LYS . 3.5 ttpm? -79.56 -23.43 42.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.5 179.274 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.1 ttmt . . . . . 0 C--N 1.331 -0.228 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.001 179.92 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.233 0.232 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.579 ' CD2' ' CE1' ' B' ' 13' ' ' HIS . 0.0 OUTLIER -66.21 -33.87 76.73 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 115.762 -0.653 . . . . 0.0 109.686 179.103 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . 0.586 ' O ' HG22 ' B' ' 17' ' ' ILE . 10.1 m-70 -73.55 -18.13 61.11 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.088 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.54 -39.93 30.73 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-O 120.922 0.391 . . . . 0.0 110.612 -179.756 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.78 -25.05 48.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.389 179.305 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.32 -37.92 31.65 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.809 179.716 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.846 HD13 ' O ' ' B' ' 17' ' ' ILE . 0.0 OUTLIER -76.23 -34.74 26.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.88 0.371 . . . . 0.0 110.69 179.831 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -78.5 -27.82 46.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.898 0.38 . . . . 0.0 110.888 179.785 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 15.2 ttt85 -80.24 -34.66 36.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.36 -179.828 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.543 ' O ' HG22 ' B' ' 24' ' ' ILE . 90.9 mt -79.49 -27.07 41.5 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 110.097 -0.335 . . . . 0.0 110.097 -179.974 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.446 ' HB2' HG13 ' A' ' 24' ' ' ILE . 0.6 OUTLIER -74.53 -39.0 62.63 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 178.662 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 19.9 ttpt -61.9 -46.74 88.05 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.107 179.363 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.26 -51.53 69.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.533 179.576 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.688 HD13 ' O ' ' B' ' 24' ' ' ILE . 0.0 OUTLIER -64.93 -18.87 24.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.935 179.581 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -71.1 -39.58 72.01 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 178.997 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 19.4 mtp180 -66.06 -48.8 69.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.327 179.278 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . 0.827 ' O ' HG22 ' B' ' 31' ' ' ILE . 3.0 m-70 -66.68 -24.0 66.21 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.215 179.24 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.472 ' HA ' ' CG2' ' B' ' 31' ' ' ILE . 0.7 OUTLIER -78.04 -24.86 47.63 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.099 179.933 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -78.55 -37.93 41.65 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.53 179.722 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.34 -42.71 61.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.794 179.622 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.827 HG22 ' O ' ' B' ' 27' ' ' HIS . 4.3 tp . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.839 -179.993 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.915 ' O ' HG23 ' A' ' 17' ' ' ILE . 8.9 m-70 . . . . . 0 C--O 1.224 -0.241 0 CA-C-O 120.519 0.2 . . . . 0.0 110.573 . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.4 -53.36 19.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.837 0.351 . . . . 0.0 110.265 -179.774 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.57 -21.65 66.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.104 178.813 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.687 ' O ' HD23 ' A' ' 20' ' ' LEU . 2.5 mm-40 -74.86 -42.44 57.9 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.082 179.759 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.972 HG22 ' HB3' ' B' ' 27' ' ' HIS . 0.7 OUTLIER -67.84 -40.83 84.3 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 CA-C-O 120.91 0.386 . . . . 0.0 110.528 -179.994 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -70.62 -26.79 63.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.777 179.582 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.8 mtp85 -75.91 -34.92 59.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.017 -179.96 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.687 HD23 ' O ' ' A' ' 16' ' ' GLU . 3.5 mm? -70.86 -36.38 72.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.865 0.364 . . . . 0.0 110.374 179.722 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.654 ' HB2' HD12 ' B' ' 24' ' ' ILE . 0.0 OUTLIER -67.17 -45.86 75.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.506 179.466 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -32.42 72.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.428 179.619 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -65.64 -48.99 70.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.704 179.879 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.672 HD12 ' HB2' ' B' ' 21' ' ' GLN . 5.7 tt -64.05 -23.01 32.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.715 0.293 . . . . 0.0 110.545 179.425 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -68.03 -48.86 64.5 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.38 179.584 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.0 -36.8 84.27 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.572 179.646 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.961 ' HB3' HG22 ' B' ' 17' ' ' ILE . 0.2 OUTLIER -73.58 -22.33 60.08 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.337 179.417 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.464 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 0.2 OUTLIER -76.11 -32.45 59.19 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.584 179.765 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.64 -41.43 65.5 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.425 179.595 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.57 -41.99 78.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.246 179.917 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.816 HG22 ' O ' ' A' ' 27' ' ' HIS . 4.2 tp -73.04 -27.55 24.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.089 -179.761 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.433 ' HE3' ' CE ' ' A' ' 28' ' ' LYS . 10.8 mttt -80.19 -22.73 41.58 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.783 179.624 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.7 mmtt . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.444 -179.779 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.236 0.379 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -72.59 -33.26 66.6 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.09 179.444 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . 0.923 ' O ' HG23 ' B' ' 17' ' ' ILE . 9.0 m-70 -68.12 -30.14 69.22 Favored 'General case' 0 C--O 1.225 -0.212 0 C-N-CA 120.978 -0.289 . . . . 0.0 110.616 179.429 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . 0.406 ' O ' HG13 ' B' ' 17' ' ' ILE . . . -69.98 -53.27 18.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.788 0.328 . . . . 0.0 110.231 -179.866 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.42 -22.1 66.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.162 178.823 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.667 ' O ' HD23 ' B' ' 20' ' ' LEU . 2.4 mm-40 -74.33 -43.06 58.27 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.064 179.793 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.961 HG22 ' HB3' ' A' ' 27' ' ' HIS . 0.7 OUTLIER -67.35 -40.93 85.76 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 CA-C-O 120.817 0.342 . . . . 0.0 110.57 -179.994 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -70.33 -26.64 63.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.785 179.598 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 12.2 mtp85 -76.11 -34.77 59.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.076 -179.986 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.667 HD23 ' O ' ' B' ' 16' ' ' GLU . 3.5 mm? -71.02 -36.07 72.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.883 0.373 . . . . 0.0 110.38 179.776 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.672 ' HB2' HD12 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -67.4 -45.73 75.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.474 179.524 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.07 -32.23 72.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.375 179.594 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -65.49 -49.27 69.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.739 179.802 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.654 HD12 ' HB2' ' A' ' 21' ' ' GLN . 5.6 tt -64.09 -23.28 32.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.699 0.285 . . . . 0.0 110.431 179.539 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -67.48 -48.62 66.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.94 0.4 . . . . 0.0 110.408 179.466 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.34 -36.43 82.9 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.551 179.593 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . 0.972 ' HB3' HG22 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -74.31 -20.99 59.92 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.317 179.438 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.477 ' HA ' ' CG2' ' B' ' 31' ' ' ILE . 0.2 OUTLIER -77.54 -32.69 54.1 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.491 179.706 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.44 -42.41 65.07 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.3 179.577 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.35 -43.9 80.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.001 179.816 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.799 HG22 ' O ' ' B' ' 27' ' ' HIS . 4.8 tp . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.382 -179.776 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.915 ' O ' HG23 ' A' ' 17' ' ' ILE . 12.8 m-70 . . . . . 0 CA--C 1.519 -0.231 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.44 -50.34 63.69 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.717 -179.811 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.03 -27.57 68.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.998 0.428 . . . . 0.0 110.297 179.469 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.509 ' CB ' ' CE1' ' B' ' 27' ' ' HIS . 0.1 OUTLIER -70.3 -41.55 73.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.292 -179.886 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.952 HG22 ' HB3' ' B' ' 27' ' ' HIS . 1.0 OUTLIER -67.55 -36.66 76.93 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-O 121.05 0.452 . . . . 0.0 110.671 -179.769 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.413 ' N ' HG13 ' A' ' 17' ' ' ILE . 6.5 mm-40 -69.86 -28.94 66.07 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.563 179.529 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.46 -42.85 67.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.581 -179.688 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.766 ' O ' HG22 ' A' ' 24' ' ' ILE . 3.4 mm? -73.43 -28.5 62.01 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 120.736 0.303 . . . . 0.0 110.55 -179.755 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.441 ' HA ' ' CG2' ' A' ' 24' ' ' ILE . 1.0 OUTLIER -75.16 -27.82 59.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.473 179.338 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.62 -32.16 53.27 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.015 179.446 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.427 ' CB ' ' HG ' ' B' ' 20' ' ' LEU . 3.3 mm-40 -71.69 -46.41 58.88 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.592 179.472 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.914 ' O ' HD12 ' A' ' 24' ' ' ILE . 0.1 OUTLIER -62.9 -36.69 76.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.941 0.401 . . . . 0.0 110.023 179.325 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -62.51 -47.56 83.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.32 179.676 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -64.82 -36.67 85.08 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 120.881 0.372 . . . . 0.0 111.472 -179.521 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.936 ' HB3' HG22 ' B' ' 17' ' ' ILE . 0.2 OUTLIER -74.43 -22.57 59.07 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.713 -179.985 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.45 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 7.1 ttmt -76.6 -32.53 58.16 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.434 179.62 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -72.63 -40.41 66.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.58 179.597 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 92.6 p -70.51 -40.83 73.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.276 -179.969 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.759 HG22 ' O ' ' A' ' 27' ' ' HIS . 5.7 tp -74.82 -25.24 18.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.914 -179.966 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.1 ttpt -79.41 -31.76 42.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.654 179.716 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.7 mttt . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.643 179.756 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 8.5 p . . . . . 0 N--CA 1.455 -0.217 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.522 ' CD2' ' ND1' ' B' ' 13' ' ' HIS . 0.5 OUTLIER -76.55 -49.89 15.29 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.638 179.213 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . 0.956 ' O ' HG23 ' B' ' 17' ' ' ILE . 12.2 m-70 -64.36 -27.57 69.1 Favored 'General case' 0 C--O 1.223 -0.32 0 C-N-CA 120.631 -0.428 . . . . 0.0 109.966 178.927 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . 0.405 ' O ' HG13 ' B' ' 17' ' ' ILE . . . -65.57 -50.77 63.91 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.952 -179.803 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.98 -27.95 69.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.04 0.448 . . . . 0.0 110.372 179.612 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.54 ' O ' HD23 ' B' ' 20' ' ' LEU . 0.2 OUTLIER -70.38 -40.73 73.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.414 -179.914 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.956 HG23 ' O ' ' B' ' 13' ' ' HIS . 1.0 OUTLIER -68.24 -35.67 72.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.849 0.357 . . . . 0.0 110.883 -179.472 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.426 ' N ' HG13 ' B' ' 17' ' ' ILE . 6.3 mm-40 -71.16 -29.2 64.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.607 179.675 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.52 -42.45 71.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.377 -179.852 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.54 HD23 ' O ' ' B' ' 16' ' ' GLU . 3.2 mm? -71.34 -31.45 67.39 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.818 0.342 . . . . 0.0 110.851 -179.731 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.444 ' CG ' HG12 ' A' ' 24' ' ' ILE . 1.1 tt0 -73.58 -32.39 64.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.584 179.832 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.73 -31.72 63.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.459 179.664 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -71.52 -46.05 60.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.043 -179.982 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.898 HD13 ' O ' ' B' ' 24' ' ' ILE . 0.0 OUTLIER -67.73 -30.44 48.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.487 179.818 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -65.02 -43.78 91.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.395 179.513 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -68.17 -36.13 79.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.764 179.781 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . 0.952 ' HB3' HG22 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -74.95 -20.57 59.62 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.695 179.693 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.461 ' HA ' ' CG2' ' B' ' 31' ' ' ILE . 6.6 ttmt -78.74 -33.87 46.24 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.906 0.384 . . . . 0.0 110.425 179.625 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -71.5 -40.44 70.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.473 179.49 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 88.2 p -69.71 -43.73 71.78 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.989 179.798 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.767 HG22 ' O ' ' B' ' 27' ' ' HIS . 6.1 tp . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.192 179.988 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.732 ' HB2' HD13 ' B' ' 31' ' ' ILE . 10.0 m-70 . . . . . 0 CA--C 1.519 -0.227 0 CA-C-O 120.647 0.261 . . . . 0.0 110.442 . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.27 -54.4 29.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.105 -179.999 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.16 -21.4 59.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.319 178.959 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.479 ' HB3' ' CE1' ' B' ' 27' ' ' HIS . 0.1 OUTLIER -76.88 -42.82 38.33 Favored 'General case' 0 CA--C 1.527 0.091 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.333 -179.933 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.933 HG22 ' HB3' ' B' ' 27' ' ' HIS . 1.1 pp -71.07 -27.78 30.9 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 CA-C-O 120.905 0.383 . . . . 0.0 110.888 -179.83 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.59 -38.98 58.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.363 179.591 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 43.2 ttt-85 -65.57 -45.46 83.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.409 179.532 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.749 HD12 HG22 ' B' ' 24' ' ' ILE . 0.0 OUTLIER -61.46 -43.62 98.54 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.901 179.295 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.831 ' HG3' HD13 ' B' ' 24' ' ' ILE . 19.4 mt-30 -60.57 -31.58 70.71 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.583 179.589 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.09 -45.36 89.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.429 179.738 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -47.59 85.3 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.859 179.739 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.816 HD13 ' HG3' ' B' ' 21' ' ' GLN . 0.5 OUTLIER -58.36 -36.18 57.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 179.762 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -61.49 -40.35 94.27 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.317 179.612 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -56.44 -47.15 79.72 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.762 179.277 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.961 ' HB3' HG22 ' B' ' 17' ' ' ILE . 0.2 OUTLIER -66.33 -26.15 67.16 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.629 178.727 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.509 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 6.0 ttmt -72.04 -26.72 62.3 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.894 179.877 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -75.1 -44.27 48.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.433 179.857 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.06 -42.0 90.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.158 179.889 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.798 HG22 ' O ' ' A' ' 27' ' ' HIS . 3.8 tp -71.75 -32.15 44.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.94 -179.87 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.0 mmtp -76.6 -20.47 56.74 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.075 179.892 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.458 -179.632 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.451 -0.39 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.448 ' CE1' ' OE1' ' B' ' 16' ' ' GLU . 0.2 OUTLIER -73.27 -41.26 63.86 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.67 178.833 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . 0.739 ' O ' HG23 ' B' ' 17' ' ' ILE . 10.0 m-70 -62.21 -32.29 72.93 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.399 179.274 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.27 -54.63 26.37 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.205 179.987 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.9 -21.68 58.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.38 178.938 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.483 ' HB3' ' CE1' ' A' ' 27' ' ' HIS . 0.1 OUTLIER -76.71 -42.81 40.02 Favored 'General case' 0 CA--C 1.527 0.081 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.324 -179.891 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.961 HG22 ' HB3' ' A' ' 27' ' ' HIS . 1.1 pp -70.86 -27.9 31.92 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.169 0 CA-C-O 120.937 0.399 . . . . 0.0 110.882 -179.747 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.36 -39.21 59.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.388 179.672 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 42.0 ttt-85 -66.08 -44.01 85.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.493 179.638 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.731 HD12 HG22 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -64.06 -36.99 85.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.121 179.559 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.816 ' HG3' HD13 ' A' ' 24' ' ' ILE . 17.9 mt-30 -67.38 -29.53 69.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.384 179.278 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.74 -46.24 79.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.416 179.63 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.63 -46.91 87.57 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.745 179.71 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.831 HD13 ' HG3' ' A' ' 21' ' ' GLN . 0.5 OUTLIER -58.5 -37.5 64.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 179.595 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -60.8 -40.17 91.67 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.358 179.609 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -56.47 -47.32 79.45 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 121.175 0.512 . . . . 0.0 109.759 179.324 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . 0.933 ' HB3' HG22 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -66.26 -26.02 67.15 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.62 178.783 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.503 ' HA ' ' CG2' ' B' ' 31' ' ' ILE . 6.1 ttmt -72.31 -26.62 62.02 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.887 179.844 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -75.06 -44.3 48.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.498 179.761 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.89 -42.25 90.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.087 179.863 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.787 HG22 ' O ' ' B' ' 27' ' ' HIS . 3.8 tp . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.037 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.827 0.346 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.459 ' O ' ' CE1' ' A' ' 5' ' ' HIS . 0.6 OUTLIER -116.27 -52.79 2.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -123.61 25.56 8.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.31 -25.6 25.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.459 ' CE1' ' O ' ' A' ' 2' ' ' LEU . 1.8 p-80 -62.96 -28.4 70.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.979 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.51 -38.14 83.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -64.62 -25.8 68.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.621 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -72.37 -55.76 6.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.532 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.475 ' O ' ' CD2' ' A' ' 13' ' ' HIS . 1.0 OUTLIER -62.55 -23.83 67.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.571 179.467 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.515 HD11 ' O ' ' B' ' 34' ' ' LEU . 0.0 OUTLIER -73.25 -45.37 53.36 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.403 179.891 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.7 p -63.68 -31.53 72.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.573 ' CD2' ' CE1' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -71.83 -44.01 64.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.327 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.578 ' HB2' HD13 ' B' ' 31' ' ' ILE . 8.3 m-70 -62.95 -27.23 69.25 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.786 0.327 . . . . 0.0 110.207 179.364 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.49 -54.94 13.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.491 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.416 ' O ' ' CB ' ' A' ' 19' ' ' ARG . 7.1 mttm -67.04 -14.01 62.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.73 179.273 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.605 ' O ' HD12 ' A' ' 20' ' ' LEU . 1.3 mm-40 -84.49 -36.83 21.98 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.212 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.655 HD13 ' O ' ' A' ' 17' ' ' ILE . 0.0 OUTLIER -78.18 -31.7 16.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.945 0.402 . . . . 0.0 110.463 179.654 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -80.62 -39.29 27.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.358 179.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.416 ' CB ' ' O ' ' A' ' 15' ' ' LYS . 15.2 ttp180 -74.33 -28.17 61.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.308 179.572 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.801 ' O ' HG23 ' A' ' 24' ' ' ILE . 13.6 mt -73.81 -40.73 63.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.099 179.515 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.406 ' O ' HG13 ' A' ' 24' ' ' ILE . 1.6 tt0 -62.74 -42.69 99.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.598 179.609 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.4 ttpt -64.43 -38.02 89.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.698 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -64.55 -38.56 91.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.209 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.801 HG23 ' O ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -64.41 -40.46 89.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.928 0.394 . . . . 0.0 110.264 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.408 ' N ' HG13 ' A' ' 24' ' ' ILE . 1.0 OUTLIER -58.8 -44.55 90.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.463 179.743 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.48 -49.29 72.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.268 179.552 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.642 ' O ' HG22 ' A' ' 31' ' ' ILE . 4.7 m-70 -64.53 -24.73 67.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.576 179.503 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.455 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 4.1 ttpt -77.13 -26.0 52.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.785 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -78.74 -35.3 44.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.746 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 13.1 p -74.52 -36.05 63.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.862 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.642 HG22 ' O ' ' A' ' 27' ' ' HIS . 4.7 tp -77.31 -28.99 16.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.69 -31.62 41.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.76 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.72 -34.1 40.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.689 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.506 ' O ' HD11 ' B' ' 10' ' ' ILE . 0.3 OUTLIER -78.12 -28.69 48.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.686 179.879 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.3 ttmt -79.46 -33.96 41.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.756 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -77.04 -31.18 56.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.785 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -75.7 -26.04 57.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.786 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -74.06 -26.35 60.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.772 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -70.74 -26.58 63.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -102.4 161.33 13.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.4 p30 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.255 -0.878 . . . . 0.0 110.911 179.985 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.818 0.342 . . . . 0.0 111.059 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . 0.467 ' O ' ' CE1' ' B' ' 5' ' ' HIS . 0.5 OUTLIER -116.28 -52.78 2.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.931 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -123.63 25.38 8.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.1 -25.73 25.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . 0.467 ' CE1' ' O ' ' B' ' 2' ' ' LEU . 1.8 p-80 -62.83 -28.34 69.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.49 -38.21 83.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.937 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -64.67 -25.61 68.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.663 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -72.56 -55.7 6.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.515 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.472 ' O ' ' CD2' ' B' ' 13' ' ' HIS . 1.0 OUTLIER -62.61 -23.91 67.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.508 179.471 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.506 HD11 ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -73.48 -45.07 52.89 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.367 179.902 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 9.7 p -63.67 -31.65 72.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.806 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.578 ' CD2' ' CE1' ' B' ' 13' ' ' HIS . 0.0 OUTLIER -71.77 -44.11 64.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.37 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . 0.592 ' HB2' HD13 ' A' ' 31' ' ' ILE . 8.3 m-70 -62.84 -27.27 69.21 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.839 0.352 . . . . 0.0 110.275 179.388 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.47 -54.91 13.85 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.478 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . 0.419 ' O ' ' CB ' ' B' ' 19' ' ' ARG . 7.2 mttm -67.09 -13.91 62.39 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.747 179.214 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.612 ' O ' HD12 ' B' ' 20' ' ' LEU . 1.3 mm-40 -84.68 -36.52 21.84 Favored 'General case' 0 N--CA 1.457 -0.076 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.244 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.658 HD13 ' O ' ' B' ' 17' ' ' ILE . 0.0 OUTLIER -78.47 -31.59 15.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.882 0.373 . . . . 0.0 110.428 179.615 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -80.92 -39.19 26.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.389 179.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . 0.419 ' CB ' ' O ' ' B' ' 15' ' ' LYS . 15.1 ttp180 -74.22 -28.72 61.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.343 179.478 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.799 ' HB3' HG22 ' A' ' 24' ' ' ILE . 13.4 mt -73.0 -41.54 64.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.1 179.374 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.408 ' O ' HG13 ' B' ' 24' ' ' ILE . 1.6 tt0 -61.86 -42.88 99.59 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.667 179.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 7.4 ttpt -64.34 -37.69 88.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.736 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -64.96 -38.1 89.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.179 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.786 HG22 ' HB3' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -64.78 -40.37 88.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.043 0.449 . . . . 0.0 110.249 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . 0.417 ' N ' HG13 ' B' ' 24' ' ' ILE . 1.0 OUTLIER -59.02 -44.41 91.71 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.48 179.701 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.52 -49.28 73.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.274 179.555 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . 0.645 ' CD2' HD11 ' A' ' 20' ' ' LEU . 4.7 m-70 -64.56 -24.73 67.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.584 179.49 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.452 ' HA ' ' CG2' ' B' ' 31' ' ' ILE . 4.0 ttpt -77.07 -26.0 52.97 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.832 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -78.76 -35.24 44.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.778 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 13.0 p -74.52 -36.02 63.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.639 HG22 ' O ' ' B' ' 27' ' ' HIS . 4.6 tp -77.22 -29.06 16.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.6 -31.58 41.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.803 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.75 -34.16 40.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.719 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.515 ' O ' HD11 ' A' ' 10' ' ' ILE . 0.3 OUTLIER -78.09 -28.62 48.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.732 179.812 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 4.3 ttmt -79.61 -33.81 41.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.797 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -77.13 -31.12 55.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.827 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -75.78 -25.98 56.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.784 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -74.16 -26.2 60.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.812 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -70.87 -26.45 63.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -102.5 161.26 13.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 9.4 p30 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.234 -0.888 . . . . 0.0 110.938 179.977 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.86 0.362 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -136.1 -65.26 0.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.942 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.49 57.68 5.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.875 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.07 -33.39 65.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.869 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -59.21 -29.47 67.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.7 -37.35 81.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.92 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -64.66 -26.01 68.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.688 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -72.76 -56.25 5.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.415 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.497 ' HG3' ' CE1' ' A' ' 13' ' ' HIS . 0.4 OUTLIER -61.01 -24.16 65.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.435 179.308 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.529 HD11 ' HB3' ' B' ' 34' ' ' LEU . 0.0 OUTLIER -71.83 -48.85 48.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.414 179.84 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 t -63.93 -26.44 68.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.706 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.568 ' CD2' ' CE1' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -71.49 -44.16 65.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.247 179.847 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.865 ' O ' HG23 ' A' ' 17' ' ' ILE . 17.3 m-70 -63.97 -30.15 71.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.876 0.369 . . . . 0.0 110.133 179.425 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.45 ' N ' HG13 ' B' ' 31' ' ' ILE . . . -64.66 -51.83 60.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.474 179.712 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.0 mttm -64.66 -21.25 66.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.503 179.23 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.487 ' HB3' ' CE1' ' B' ' 27' ' ' HIS . 9.5 mm-40 -77.35 -35.95 54.19 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.147 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.865 HG23 ' O ' ' A' ' 13' ' ' HIS . 1.0 OUTLIER -72.59 -35.39 50.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.826 0.346 . . . . 0.0 110.941 -179.929 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.426 ' N ' HG13 ' A' ' 17' ' ' ILE . 58.6 mt-10 -75.27 -38.94 60.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.552 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.71 -34.26 75.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.552 179.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.809 HD13 ' HA ' ' B' ' 24' ' ' ILE . 0.5 OUTLIER -66.61 -44.86 80.93 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.035 179.475 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.407 ' O ' HG13 ' A' ' 24' ' ' ILE . 10.9 tt0 -56.58 -44.79 81.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.815 179.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -61.57 -35.61 78.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.725 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.455 ' HG2' HD11 ' B' ' 20' ' ' LEU . 1.3 tt0 -65.93 -39.26 90.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.155 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.807 ' HA ' HD13 ' B' ' 20' ' ' LEU . 0.5 OUTLIER -62.9 -40.91 90.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.989 0.423 . . . . 0.0 110.147 179.885 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.409 ' N ' HG13 ' A' ' 24' ' ' ILE . 0.2 OUTLIER -60.37 -41.56 93.97 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.387 179.561 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.1 mmt180 -56.03 -44.97 79.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.014 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.811 ' HB3' HG22 ' B' ' 17' ' ' ILE . 0.2 OUTLIER -65.69 -28.16 68.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.087 179.37 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.522 ' HA ' HG22 ' A' ' 31' ' ' ILE . 1.9 ttpt -74.78 -23.45 58.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.852 179.642 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.418 ' HA ' ' CG ' ' A' ' 32' ' ' LYS . 36.7 tt0 -80.81 -34.41 34.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.757 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.86 -36.4 56.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.576 179.698 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.596 HG21 HG21 ' B' ' 17' ' ' ILE . 0.0 OUTLIER -77.8 -33.85 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.862 179.681 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.418 ' CG ' ' HA ' ' A' ' 29' ' ' GLN . 0.0 OUTLIER -77.19 -29.77 54.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.456 179.543 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.08 -37.01 64.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.348 179.51 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.52 ' HB3' HD11 ' B' ' 10' ' ' ILE . 1.1 mt -67.18 -43.14 82.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.404 179.568 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.429 ' HE2' HG21 ' B' ' 10' ' ' ILE . 11.1 mmtp -61.21 -42.38 98.49 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.537 179.616 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -65.22 -34.3 78.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.042 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.56 -27.23 65.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.46 ' OE2' HD13 ' B' ' 10' ' ' ILE . 2.8 mt-10 -69.62 -31.05 68.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.6 -25.61 64.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.915 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -83.39 -170.72 3.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.924 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.829 0.347 . . . . 0.0 111.062 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -136.16 -65.19 0.58 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.96 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.38 57.72 5.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.948 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.05 -33.34 65.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.91 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -59.28 -29.45 67.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.78 -37.19 81.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.825 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -64.79 -26.04 68.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.599 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -72.81 -56.24 5.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.413 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.496 ' HG3' ' CE1' ' B' ' 13' ' ' HIS . 0.4 OUTLIER -60.89 -24.21 65.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.396 179.24 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.52 HD11 ' HB3' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -71.57 -49.34 47.22 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.328 179.869 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 1.4 t -63.74 -26.43 68.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.762 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.576 ' CD2' ' CE1' ' B' ' 13' ' ' HIS . 0.0 OUTLIER -71.56 -44.19 64.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.243 179.859 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . 0.845 ' O ' HG23 ' B' ' 17' ' ' ILE . 17.1 m-70 -64.03 -30.06 71.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.833 0.349 . . . . 0.0 110.1 179.478 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.448 ' N ' HG13 ' A' ' 31' ' ' ILE . . . -65.01 -51.8 59.65 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.441 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 4.9 mttm -64.33 -21.65 66.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.449 179.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.474 ' HB3' ' CE1' ' A' ' 27' ' ' HIS . 9.5 mm-40 -76.71 -37.06 56.73 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.142 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.845 HG23 ' O ' ' B' ' 13' ' ' HIS . 1.0 OUTLIER -71.5 -35.56 57.11 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 CA-C-O 120.901 0.381 . . . . 0.0 111.045 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.422 ' N ' HG13 ' B' ' 17' ' ' ILE . 63.2 mt-10 -74.34 -39.24 62.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.69 179.633 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.23 -32.32 71.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.614 179.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.807 HD13 ' HA ' ' A' ' 24' ' ' ILE . 0.5 OUTLIER -69.79 -39.5 76.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.344 179.596 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.41 ' O ' HG13 ' B' ' 24' ' ' ILE . 10.2 tt0 -61.85 -43.53 98.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.541 179.413 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -63.11 -36.19 82.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.683 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . 0.41 ' HG2' HD11 ' A' ' 20' ' ' LEU . 1.5 tt0 -65.36 -39.36 92.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.15 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.809 ' HA ' HD13 ' A' ' 20' ' ' LEU . 0.5 OUTLIER -62.65 -41.24 91.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.027 0.441 . . . . 0.0 110.015 179.91 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . 0.409 ' N ' HG13 ' B' ' 24' ' ' ILE . 0.2 OUTLIER -60.33 -41.33 93.31 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.351 179.589 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -56.05 -45.18 79.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.08 179.467 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . 0.827 ' HB3' HG22 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -65.31 -28.0 69.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.157 179.274 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.515 ' HA ' HG22 ' B' ' 31' ' ' ILE . 2.0 ttpt -74.86 -23.86 58.48 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.79 179.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . 0.43 ' HA ' ' CG ' ' B' ' 32' ' ' LYS . 36.7 tt0 -80.51 -34.14 35.87 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.751 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 3.8 m -76.99 -36.46 56.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.61 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.61 HG21 HG21 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -78.07 -33.18 17.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.818 179.725 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . 0.43 ' CG ' ' HA ' ' B' ' 29' ' ' GLN . 0.0 OUTLIER -77.65 -29.95 51.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.357 179.54 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -73.57 -37.83 65.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.406 179.544 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.529 ' HB3' HD11 ' A' ' 10' ' ' ILE . 1.1 mt -67.96 -42.23 81.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.429 179.646 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . 0.442 ' HE2' HG21 ' A' ' 10' ' ' ILE . 0.5 OUTLIER -63.31 -37.65 88.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.673 179.839 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -70.39 -32.84 70.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.844 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.47 -27.22 65.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.802 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . 0.423 ' OE2' HD13 ' A' ' 10' ' ' ILE . 2.8 mt-10 -68.49 -30.74 69.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.842 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.73 -25.63 63.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -83.19 -170.87 3.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.894 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 120.818 0.342 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.6 mt -55.6 142.15 34.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.862 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.494 ' HE2' ' CE1' ' A' ' 5' ' ' HIS . 0.0 OUTLIER -95.92 27.24 3.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 179.93 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.403 ' HE3' ' HA ' ' A' ' 5' ' ' HIS . 0.0 OUTLIER -66.14 -31.67 72.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.494 ' CE1' ' HE2' ' A' ' 3' ' ' LYS . 2.9 p-80 -59.63 -32.14 70.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.43 ' N ' ' CD2' ' A' ' 5' ' ' HIS . 0.1 OUTLIER -64.84 -56.76 11.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.07 -25.2 4.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.745 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -70.84 -59.12 2.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.327 179.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.469 ' O ' ' CD2' ' A' ' 13' ' ' HIS . 3.3 mm-40 -56.87 -21.2 27.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.336 179.206 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.449 HD12 HD22 ' B' ' 34' ' ' LEU . 0.0 OUTLIER -71.23 -51.83 31.45 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.63 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.2 t -63.35 -27.11 69.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.026 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.576 ' CD2' ' CE1' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -74.97 -43.28 54.88 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.462 -179.931 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.576 ' CE1' ' CD2' ' A' ' 12' ' ' HIS . 10.8 m-70 -65.29 -25.76 67.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.7 0.286 . . . . 0.0 110.241 179.455 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.445 ' O ' HG22 ' A' ' 17' ' ' ILE . . . -70.96 -54.1 12.52 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.351 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.409 ' O ' ' CB ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -69.01 -15.51 63.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.669 179.141 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.593 ' O ' HD12 ' A' ' 20' ' ' LEU . 6.6 mm-40 -84.26 -34.54 23.79 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.973 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.612 ' C ' HD13 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -77.09 -35.54 23.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.901 0.381 . . . . 0.0 110.451 179.668 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.8 -38.95 37.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.362 179.308 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.409 ' CB ' ' O ' ' A' ' 15' ' ' LYS . 3.7 ttt180 -74.0 -26.99 60.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.423 179.588 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.759 ' O ' HG23 ' A' ' 24' ' ' ILE . 10.2 mt -73.2 -42.12 63.04 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.103 179.379 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -61.38 -44.6 96.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.653 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.07 -35.74 81.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.711 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.405 ' OE2' ' CZ ' ' A' ' 19' ' ' ARG . 3.4 mt-10 -66.45 -36.32 82.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.158 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.759 HG23 ' O ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -65.89 -41.53 90.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.99 0.424 . . . . 0.0 110.159 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.403 ' N ' HG13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -58.74 -44.18 90.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.441 179.701 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.76 -49.32 73.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.268 179.601 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.736 ' O ' HG22 ' A' ' 31' ' ' ILE . 1.7 m-70 -62.99 -25.34 68.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.561 179.531 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.453 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 0.0 OUTLIER -75.12 -30.38 60.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.902 179.923 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -75.03 -34.66 61.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.746 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.59 -40.64 61.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.736 HG22 ' O ' ' A' ' 27' ' ' HIS . 4.0 tp -74.22 -26.08 20.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.87 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt -79.07 -36.39 40.91 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.745 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.58 -27.63 45.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.736 179.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.465 HD22 HD12 ' B' ' 10' ' ' ILE . 0.8 OUTLIER -79.85 -31.33 40.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.699 179.81 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -77.39 -35.59 54.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.792 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -77.92 -29.95 50.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.712 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.8 t -77.78 -26.86 50.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.734 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.25 -28.24 61.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.87 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.27 -25.21 61.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.924 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -85.55 -36.97 20.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.8 t0 . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.278 -0.868 . . . . 0.0 110.881 -179.975 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.866 0.365 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 3.6 mt -55.74 142.14 35.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . 0.494 ' HE2' ' CE1' ' B' ' 5' ' ' HIS . 0.0 OUTLIER -95.9 27.24 3.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.05 -31.73 72.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . 0.494 ' CE1' ' HE2' ' B' ' 3' ' ' LYS . 2.9 p-80 -59.56 -32.22 70.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . 0.427 ' N ' ' CD2' ' B' ' 5' ' ' HIS . 0.1 OUTLIER -64.86 -56.68 11.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.903 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.16 -25.12 4.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.762 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -70.95 -58.98 3.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.379 179.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.474 ' O ' ' CD2' ' B' ' 13' ' ' HIS . 3.3 mm-40 -56.9 -21.22 28.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.361 179.129 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.465 HD12 HD22 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -71.22 -51.84 31.43 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.636 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 3.2 t -63.31 -27.1 69.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.059 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.577 ' CD2' ' CE1' ' B' ' 13' ' ' HIS . 0.0 OUTLIER -75.0 -43.33 54.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.426 -179.897 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . 0.577 ' CE1' ' CD2' ' B' ' 12' ' ' HIS . 10.8 m-70 -65.3 -25.72 67.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.755 0.312 . . . . 0.0 110.318 179.42 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.442 ' O ' HG22 ' B' ' 17' ' ' ILE . . . -70.97 -54.05 12.69 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.441 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . 0.411 ' O ' ' CB ' ' B' ' 19' ' ' ARG . 0.0 OUTLIER -69.03 -15.62 63.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.635 179.1 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.587 ' O ' HD12 ' B' ' 20' ' ' LEU . 6.6 mm-40 -84.18 -34.56 23.95 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.994 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.623 ' C ' HD13 ' B' ' 17' ' ' ILE . 0.0 OUTLIER -77.03 -35.54 23.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.884 0.373 . . . . 0.0 110.477 179.626 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.94 -38.84 36.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.312 179.401 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . 0.412 ' CZ ' ' OE2' ' B' ' 23' ' ' GLU . 3.7 ttt180 -73.94 -27.04 60.82 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.444 179.531 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.758 ' HB3' HG22 ' A' ' 24' ' ' ILE . 10.2 mt -73.17 -42.21 63.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.058 179.426 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.404 ' O ' HG13 ' B' ' 24' ' ' ILE . 1.9 tt0 -61.29 -44.73 96.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.653 179.62 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.91 -35.75 81.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.77 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . 0.412 ' OE2' ' CZ ' ' B' ' 19' ' ' ARG . 3.4 mt-10 -66.5 -36.31 82.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.142 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.758 HG23 ' O ' ' B' ' 20' ' ' LEU . 0.5 OUTLIER -65.86 -41.56 90.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.99 0.424 . . . . 0.0 110.159 179.919 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . 0.412 ' N ' HG13 ' B' ' 24' ' ' ILE . 0.0 OUTLIER -58.75 -44.07 90.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.54 179.727 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.8 -49.39 73.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.261 179.546 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . 0.729 ' O ' HG22 ' B' ' 31' ' ' ILE . 1.8 m-70 -62.89 -25.33 68.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.644 179.463 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.455 ' HA ' ' CG2' ' B' ' 31' ' ' ILE . 0.0 OUTLIER -75.17 -30.31 60.66 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.886 179.906 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -75.12 -34.6 61.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.734 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.59 -40.54 61.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.933 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.729 HG22 ' O ' ' B' ' 27' ' ' HIS . 4.0 tp -74.37 -26.09 20.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.806 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 2.1 ttmt -79.04 -36.26 41.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.775 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.4 ' O ' ' HB2' ' B' ' 37' ' ' SER . 0.0 OUTLIER -78.78 -27.47 44.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.704 179.798 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.449 HD22 HD12 ' A' ' 10' ' ' ILE . 0.8 OUTLIER -79.97 -31.31 39.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.687 179.79 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -77.36 -35.68 54.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.827 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -77.82 -29.97 50.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.746 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . 0.4 ' HB2' ' O ' ' B' ' 33' ' ' LYS . 4.8 t -77.74 -26.86 50.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.761 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.33 -28.15 61.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.825 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.38 -25.26 61.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.865 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -85.5 -36.89 20.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 3.8 t0 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.297 -0.859 . . . . 0.0 110.874 -179.966 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.84 0.352 . . . . 0.0 111.082 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.29 -29.06 14.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.813 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 50.75 25.11 1.96 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.982 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.0 tttp -75.54 -42.45 52.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.812 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -58.58 -24.83 61.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.812 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.37 -38.36 90.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.828 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -64.85 -25.94 68.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.613 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -72.57 -55.5 6.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.529 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.468 ' O ' ' CD2' ' A' ' 13' ' ' HIS . 0.1 OUTLIER -62.35 -24.31 67.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.481 179.368 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.554 HD11 ' HB3' ' B' ' 34' ' ' LEU . 0.0 OUTLIER -72.3 -46.32 57.62 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.317 179.853 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.7 m -66.76 -25.15 66.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.76 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.569 ' CD2' ' CE1' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -77.79 -40.63 40.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.383 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.569 ' CE1' ' CD2' ' A' ' 12' ' ' HIS . 7.8 m-70 -66.58 -27.75 67.97 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 110.167 -0.309 . . . . 0.0 110.167 179.285 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.541 ' O ' HG22 ' A' ' 17' ' ' ILE . . . -70.48 -56.23 7.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.411 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.04 -13.1 62.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.494 178.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.822 ' O ' HD23 ' A' ' 20' ' ' LEU . 7.1 tp10 -86.05 -32.13 21.58 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.775 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.619 ' C ' HD13 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -77.22 -37.81 26.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 120.842 0.353 . . . . 0.0 110.415 179.523 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.36 -37.86 56.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.444 179.285 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.24 -29.71 62.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.648 179.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.822 HD23 ' O ' ' A' ' 16' ' ' GLU . 1.9 mm? -71.9 -39.1 69.77 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.016 179.52 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.406 ' O ' HG13 ' A' ' 24' ' ' ILE . 1.9 tt0 -62.03 -47.45 84.68 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.538 179.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.82 -33.48 75.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.64 179.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -67.23 -36.39 81.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.011 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.764 HG22 ' HB3' ' B' ' 20' ' ' LEU . 0.5 OUTLIER -65.82 -41.13 89.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.007 0.432 . . . . 0.0 110.079 179.872 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.406 ' N ' HG13 ' A' ' 24' ' ' ILE . 1.1 tp10 -59.28 -43.11 92.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.465 179.598 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.6 ttm180 -55.84 -50.74 69.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.125 179.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.737 ' O ' HG22 ' A' ' 31' ' ' ILE . 4.0 m-70 -62.32 -24.87 67.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.387 179.308 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.451 ' CB ' HG13 ' B' ' 17' ' ' ILE . 2.2 ttpp -74.25 -29.93 61.91 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.648 179.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -76.06 -31.8 58.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.796 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.7 m -77.0 -39.09 51.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.737 HG22 ' O ' ' A' ' 27' ' ' HIS . 3.1 tp -75.71 -28.93 19.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.711 179.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.87 -34.32 39.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.868 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.9 tttt -78.86 -29.78 44.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.665 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.542 ' HB3' HD11 ' B' ' 10' ' ' ILE . 1.9 mt -78.29 -32.61 49.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.602 179.714 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.7 ttmm -74.65 -37.1 62.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.566 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 22.0 tp60 -72.99 -33.8 66.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.61 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 38.9 m -69.36 -29.77 67.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.663 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.39 -26.96 67.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.723 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -66.56 -25.08 66.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 71.22 152.24 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.904 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.922 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.822 0.344 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.26 -29.14 14.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 50.87 24.98 1.97 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.92 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 11.9 tttp -75.55 -42.27 52.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.874 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -58.63 -25.08 62.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.822 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.24 -38.26 90.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -65.03 -25.39 67.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.652 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -73.13 -55.48 6.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.525 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.466 ' O ' ' CD2' ' B' ' 13' ' ' HIS . 0.1 OUTLIER -62.22 -24.32 67.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.43 179.325 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.542 HD11 ' HB3' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -72.04 -47.8 53.01 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.22 179.806 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 2.7 m -65.59 -24.75 67.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.827 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.569 ' CD2' ' CE1' ' B' ' 13' ' ' HIS . 0.0 OUTLIER -78.2 -40.55 37.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.487 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . 0.569 ' CE1' ' CD2' ' B' ' 12' ' ' HIS . 7.8 m-70 -67.04 -27.51 67.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.851 0.357 . . . . 0.0 110.18 179.332 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.634 ' N ' HD13 ' A' ' 31' ' ' ILE . . . -70.85 -55.55 8.24 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.333 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.5 -13.36 62.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.468 178.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.817 ' O ' HD23 ' B' ' 20' ' ' LEU . 7.1 tp10 -85.81 -31.91 22.06 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.789 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.626 ' C ' HD13 ' B' ' 17' ' ' ILE . 0.0 OUTLIER -77.05 -38.01 27.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.843 0.354 . . . . 0.0 110.365 179.555 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.34 -37.83 56.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.34 179.448 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.19 -29.69 63.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.691 179.686 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.817 HD23 ' O ' ' B' ' 16' ' ' GLU . 1.9 mm? -71.88 -39.11 69.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.308 -0.406 . . . . 0.0 109.999 179.499 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.408 ' O ' HG13 ' B' ' 24' ' ' ILE . 2.0 tt0 -62.14 -47.42 84.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.487 179.644 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.0 -33.26 75.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.625 179.728 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -67.42 -36.35 81.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.969 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.766 HG22 ' HB3' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -65.8 -41.16 89.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.026 0.441 . . . . 0.0 110.045 179.847 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . 0.408 ' N ' HG13 ' B' ' 24' ' ' ILE . 1.1 tp10 -59.32 -43.05 92.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.462 179.584 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 8.5 ttm180 -55.75 -50.59 69.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.176 179.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . 0.724 ' O ' HG22 ' B' ' 31' ' ' ILE . 3.9 m-70 -62.6 -24.83 67.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.357 179.311 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.454 ' CB ' HG13 ' A' ' 17' ' ' ILE . 2.1 ttpp -74.36 -29.65 61.66 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.655 179.626 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -76.28 -32.27 58.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.82 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 4.6 m -76.62 -38.79 54.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.724 HG22 ' O ' ' B' ' 27' ' ' HIS . 3.6 tp -75.84 -29.27 19.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.772 179.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.57 -33.82 41.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.821 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 24.8 tttt -79.19 -29.86 43.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.593 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.554 ' HB3' HD11 ' A' ' 10' ' ' ILE . 2.0 mt -78.24 -32.14 49.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.609 179.742 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 2.4 ttmm -75.1 -37.46 61.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.656 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 22.1 tp60 -72.78 -33.8 66.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.655 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 39.1 m -69.38 -29.7 67.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.701 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.42 -27.04 67.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.662 179.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -66.41 -25.23 66.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 71.25 152.13 0.11 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.909 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.91 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.828 ' HB3' ' HG2' ' A' ' 4' ' ' LYS . . . . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 120.779 0.323 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.472 ' O ' ' CE1' ' A' ' 5' ' ' HIS . 0.1 OUTLIER -120.95 -41.24 2.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.942 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.405 ' HD2' ' HB3' ' A' ' 2' ' ' LEU . 0.1 OUTLIER -117.78 26.83 9.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.828 ' HG2' ' HB3' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -89.65 -35.81 15.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.956 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.472 ' CE1' ' O ' ' A' ' 2' ' ' LEU . 1.9 p-80 -58.98 -25.55 63.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.824 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -61.63 -39.01 89.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.855 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.17 -26.38 68.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.668 179.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -72.42 -56.7 5.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.406 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.46 ' O ' ' CD2' ' A' ' 13' ' ' HIS . 0.1 OUTLIER -62.16 -21.28 64.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.524 179.335 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.43 ' CG1' ' HB3' ' B' ' 34' ' ' LEU . 0.0 OUTLIER -75.51 -46.18 37.87 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.415 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.08 -25.38 65.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.72 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.573 ' CD2' ' CE1' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -75.87 -45.76 33.87 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.256 179.934 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.573 ' CE1' ' CD2' ' A' ' 12' ' ' HIS . 9.9 m-70 -62.52 -31.22 71.95 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.866 0.365 . . . . 0.0 110.142 179.341 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.693 ' N ' HD13 ' B' ' 31' ' ' ILE . . . -65.17 -54.78 24.44 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.421 179.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.403 ' O ' ' CG ' ' A' ' 19' ' ' ARG . 9.0 mtmt -66.7 -16.42 64.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.677 179.166 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.66 ' O ' HD23 ' A' ' 20' ' ' LEU . 1.6 mm-40 -81.87 -33.36 30.6 Favored 'General case' 0 N--CA 1.456 -0.125 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.272 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.531 HD12 ' CB ' ' B' ' 28' ' ' LYS . 2.7 tt -79.18 -33.69 15.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 120.893 0.378 . . . . 0.0 110.517 179.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -78.75 -36.46 43.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.469 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.403 ' CG ' ' O ' ' A' ' 15' ' ' LYS . 1.4 mmm-85 -74.97 -33.61 61.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.737 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.863 ' HB3' HG22 ' B' ' 24' ' ' ILE . 2.1 mm? -72.37 -35.67 68.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.148 179.497 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.694 ' HG3' HD13 ' B' ' 24' ' ' ILE . 1.6 mt-30 -64.35 -45.3 88.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.519 179.584 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.09 -36.91 85.16 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.645 179.708 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.6 tp10 -63.94 -40.98 97.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.03 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.879 HG22 ' HB3' ' B' ' 20' ' ' LEU . 0.6 OUTLIER -62.61 -38.67 82.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 121.027 0.442 . . . . 0.0 110.129 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.406 ' N ' HG13 ' A' ' 24' ' ' ILE . 2.1 tp10 -59.12 -44.69 92.03 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.493 179.705 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.7 ttt180 -55.35 -49.5 72.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.126 179.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.794 ' O ' HG22 ' A' ' 31' ' ' ILE . 7.5 m-70 -63.24 -25.99 68.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.372 179.328 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.53 ' CB ' HD12 ' B' ' 17' ' ' ILE . 20.6 ttmm -75.47 -26.37 58.16 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.783 179.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -77.39 -34.72 54.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.692 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.1 m -75.42 -40.39 57.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.754 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.794 HG22 ' O ' ' A' ' 27' ' ' HIS . 3.5 tp -76.87 -27.38 16.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -82.49 -28.57 31.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.769 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.6 tttt -81.95 -33.21 30.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.645 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.8 -30.94 40.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.59 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.48 -31.13 37.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.824 179.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -80.57 -28.92 37.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.783 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.3 t -79.92 -27.88 39.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.79 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.8 -26.32 49.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.83 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -78.55 -25.46 45.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 62.08 64.87 0.94 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.888 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 . . . . . 0 C--O 1.248 0.984 0 CA-C-O 118.282 -0.866 . . . . 0.0 110.85 179.941 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . 0.808 ' HB3' ' HG2' ' B' ' 4' ' ' LYS . . . . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.774 0.321 . . . . 0.0 111.034 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . 0.467 ' O ' ' CE1' ' B' ' 5' ' ' HIS . 0.1 OUTLIER -120.81 -41.24 2.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . 0.42 ' HD2' ' HB3' ' B' ' 2' ' ' LEU . 0.1 OUTLIER -117.73 27.0 9.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.869 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . 0.808 ' HG2' ' HB3' ' B' ' 1' ' ' ALA . 0.0 OUTLIER -89.88 -35.79 15.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.794 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . 0.467 ' CE1' ' O ' ' B' ' 2' ' ' LEU . 1.9 p-80 -59.05 -25.72 63.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.809 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -61.52 -38.7 88.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.811 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.5 -26.4 68.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.598 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -72.28 -56.45 5.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.478 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.47 ' O ' ' CD2' ' B' ' 13' ' ' HIS . 0.1 OUTLIER -62.18 -21.84 65.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.572 179.365 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -74.96 -46.04 41.32 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.407 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 6.2 t -68.0 -26.22 65.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.722 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.564 ' CD2' ' CE1' ' B' ' 13' ' ' HIS . 0.0 OUTLIER -75.27 -45.56 39.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.292 179.912 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . 0.564 ' CE1' ' CD2' ' B' ' 12' ' ' HIS . 10.0 m-70 -62.53 -30.53 71.36 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 179.352 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.577 ' N ' HD13 ' A' ' 31' ' ' ILE . . . -65.63 -55.62 16.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.357 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . 0.421 ' O ' ' CG ' ' B' ' 19' ' ' ARG . 9.4 mtmt -66.38 -15.94 63.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.616 179.171 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.652 ' O ' HD23 ' B' ' 20' ' ' LEU . 1.6 mm-40 -82.21 -33.88 29.17 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.218 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.53 HD12 ' CB ' ' A' ' 28' ' ' LYS . 2.7 tt -79.16 -33.39 15.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.838 0.352 . . . . 0.0 110.501 179.627 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -78.84 -36.44 42.42 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.546 179.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . 0.421 ' CG ' ' O ' ' B' ' 15' ' ' LYS . 1.6 mmm-85 -75.0 -33.51 61.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.675 179.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.879 ' HB3' HG22 ' A' ' 24' ' ' ILE . 2.2 mm? -72.35 -35.74 68.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.054 179.619 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.681 ' HG3' HD13 ' A' ' 24' ' ' ILE . 1.6 mt-30 -64.29 -45.51 87.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.529 179.564 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.88 -37.04 85.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.604 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 -63.82 -41.04 97.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.986 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.863 HG22 ' HB3' ' A' ' 20' ' ' LEU . 0.6 OUTLIER -62.46 -38.7 82.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.029 0.442 . . . . 0.0 110.158 179.864 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . 0.408 ' N ' HG13 ' B' ' 24' ' ' ILE . 2.1 tp10 -59.04 -44.92 91.83 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.515 179.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 18.5 ttt180 -55.16 -49.56 71.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.187 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . 0.794 ' O ' HG22 ' B' ' 31' ' ' ILE . 7.4 m-70 -63.13 -26.14 68.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.414 179.332 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.531 ' CB ' HD12 ' A' ' 17' ' ' ILE . 20.7 ttmm -75.34 -26.43 58.57 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.712 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -77.39 -34.25 54.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.668 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 3.1 m -75.79 -40.47 55.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.82 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.794 HG22 ' O ' ' B' ' 27' ' ' HIS . 3.0 tp -77.05 -27.24 16.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.797 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -82.67 -28.86 30.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.839 179.694 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 14.6 tttt -81.7 -33.33 31.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.675 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.43 ' HB3' ' CG1' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -79.58 -31.42 41.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.557 179.714 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.78 -31.27 40.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.737 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -80.36 -29.08 37.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.734 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 2.2 t -79.76 -28.12 40.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.84 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.67 -26.06 50.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -78.6 -25.69 45.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.906 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 62.17 64.71 0.95 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.906 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 . . . . . 0 C--O 1.248 0.98 0 CA-C-O 118.274 -0.869 . . . . 0.0 110.881 179.984 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.779 0.323 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.47 -26.04 41.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 20.3 mttm -95.19 25.97 4.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.57 -37.74 74.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -55.47 -28.35 53.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -58.88 -44.5 91.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.877 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -58.04 -26.53 62.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.635 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -71.64 -58.99 2.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.222 179.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.74 -21.4 27.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.352 179.024 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.407 HG22 ' N ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -70.83 -52.63 26.56 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.579 179.927 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.407 ' N ' HG22 ' A' ' 10' ' ' ILE . 0.2 OUTLIER -63.61 -23.89 67.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.042 -179.903 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.578 ' CD2' ' CE1' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -76.47 -45.11 32.62 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.355 -179.923 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.578 ' CE1' ' CD2' ' A' ' 12' ' ' HIS . 10.5 m-70 -64.5 -26.38 68.4 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.83 0.347 . . . . 0.0 110.269 179.328 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.451 ' N ' HD13 ' B' ' 31' ' ' ILE . . . -69.88 -55.2 10.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.371 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.415 ' O ' ' CB ' ' A' ' 19' ' ' ARG . 2.1 mttp -68.17 -14.7 63.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.593 179.055 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.63 ' O ' HD12 ' A' ' 20' ' ' LEU . 8.1 mm-40 -84.55 -34.65 23.2 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.122 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.616 ' C ' HD13 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -78.29 -34.16 18.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.841 0.353 . . . . 0.0 110.35 179.601 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.28 -39.19 33.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.32 179.369 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.415 ' CB ' ' O ' ' A' ' 15' ' ' LYS . 0.7 OUTLIER -73.86 -29.02 61.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.475 179.632 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.81 ' HB3' HG22 ' B' ' 24' ' ' ILE . 12.9 mt -72.77 -39.89 66.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.048 179.393 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.404 ' O ' HG13 ' A' ' 24' ' ' ILE . 15.6 tt0 -61.91 -45.35 94.11 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.684 179.691 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.37 -36.93 85.33 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.721 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.59 -38.18 90.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.126 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.808 HG22 ' HB3' ' B' ' 20' ' ' LEU . 0.5 OUTLIER -65.14 -39.88 86.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.072 0.463 . . . . 0.0 110.23 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.411 ' N ' HG13 ' A' ' 24' ' ' ILE . 1.5 tp10 -58.57 -44.45 89.73 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.494 179.671 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.5 -49.86 73.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.35 179.627 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.643 ' CD2' HD11 ' B' ' 20' ' ' LEU . 2.6 m-70 -62.99 -25.05 68.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.462 179.531 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.483 ' HA ' HG22 ' A' ' 31' ' ' ILE . 8.3 ttpt -77.84 -26.18 49.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.83 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -76.37 -36.03 58.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.829 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.2 m -73.69 -41.13 63.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.681 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.529 HD13 ' N ' ' B' ' 14' ' ' ALA . 5.0 tp -71.87 -27.28 27.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.222 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.69 -36.4 37.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.025 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.0 ttmt -77.96 -26.68 48.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.774 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.571 HD13 ' HD2' ' B' ' 13' ' ' HIS . 0.2 OUTLIER -80.32 -33.84 37.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.614 179.773 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.85 -34.46 62.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.662 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -77.43 -32.39 54.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.753 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 86.1 p -76.5 -27.71 56.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.755 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.69 -26.37 59.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.792 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -71.0 -28.41 64.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.797 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -106.17 -162.96 0.89 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.833 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.281 -0.866 . . . . 0.0 110.913 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.782 0.325 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.52 -26.04 41.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 20.6 mttm -95.09 25.96 3.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.58 -37.78 73.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.857 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -55.53 -28.3 53.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -58.93 -44.38 91.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.831 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -58.12 -26.55 62.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.688 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -71.77 -58.97 3.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.133 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.77 -21.32 27.59 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.295 179.034 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.407 HG13 ' HB3' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -70.74 -52.81 25.42 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.579 179.904 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . 0.403 ' N ' HG22 ' B' ' 10' ' ' ILE . 0.2 OUTLIER -63.47 -23.69 67.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.053 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.569 ' CD2' ' CE1' ' B' ' 13' ' ' HIS . 0.0 OUTLIER -76.83 -44.73 31.23 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.405 -179.815 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . 0.571 ' HD2' HD13 ' A' ' 34' ' ' LEU . 10.6 m-70 -64.99 -26.2 68.19 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.246 179.313 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.529 ' N ' HD13 ' A' ' 31' ' ' ILE . . . -70.31 -54.75 11.32 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.432 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . 0.4 ' O ' ' CB ' ' B' ' 19' ' ' ARG . 2.0 mttp -68.33 -15.03 63.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.635 179.034 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.605 ' O ' HD12 ' B' ' 20' ' ' LEU . 8.1 mm-40 -84.26 -34.85 23.74 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.039 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.615 ' C ' HD13 ' B' ' 17' ' ' ILE . 0.0 OUTLIER -77.74 -34.6 20.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.926 0.393 . . . . 0.0 110.444 179.597 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.8 -39.21 36.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.422 179.334 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . 0.4 ' CB ' ' O ' ' B' ' 15' ' ' LYS . 0.8 OUTLIER -74.07 -28.32 61.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.51 179.657 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.808 ' HB3' HG22 ' A' ' 24' ' ' ILE . 13.0 mt -73.6 -39.29 64.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.045 179.472 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.411 ' O ' HG13 ' B' ' 24' ' ' ILE . 15.8 tt0 -62.59 -45.18 94.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.58 179.553 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.48 -37.03 85.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.731 179.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.36 -38.6 91.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.119 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.81 HG22 ' HB3' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -64.78 -39.91 87.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.938 0.399 . . . . 0.0 110.178 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . 0.413 ' N ' HG13 ' B' ' 24' ' ' ILE . 1.4 tp10 -58.53 -44.41 89.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.544 179.72 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.45 -50.02 72.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.33 179.564 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . 0.633 ' CD2' HD11 ' A' ' 20' ' ' LEU . 2.7 m-70 -62.95 -24.96 68.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.519 179.464 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.48 ' HA ' HG22 ' B' ' 31' ' ' ILE . 8.2 ttpt -77.93 -26.14 48.74 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.772 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -76.57 -36.26 57.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.772 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 1.2 m -73.44 -41.03 63.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.715 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.509 HG22 ' O ' ' B' ' 27' ' ' HIS . 5.4 tp -71.81 -27.67 28.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.221 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.3 -36.32 39.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.989 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 12.0 ttmt -77.96 -26.81 49.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.799 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.566 HD13 ' HD2' ' A' ' 13' ' ' HIS . 0.2 OUTLIER -80.25 -33.54 37.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.642 179.796 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.24 -34.37 61.4 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.776 179.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -77.55 -32.28 53.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.738 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 86.2 p -76.58 -27.67 55.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.791 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.61 -26.43 59.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.841 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -70.86 -28.42 64.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -106.17 -162.88 0.89 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.274 -0.87 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.842 0.353 . . . . 0.0 111.071 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.463 ' O ' ' CE1' ' A' ' 5' ' ' HIS . 2.1 mt -107.35 174.71 5.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.61 24.68 5.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.959 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -85.12 -30.21 24.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.847 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.463 ' CE1' ' O ' ' A' ' 2' ' ' LEU . 2.1 p-80 -55.53 -23.78 28.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.992 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.34 -57.91 7.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.867 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -52.24 -25.54 9.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.681 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -71.22 -58.29 3.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.386 179.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.494 ' HG3' ' CE1' ' A' ' 13' ' ' HIS . 1.6 tp10 -56.67 -21.71 29.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.297 179.084 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.859 HD11 ' O ' ' B' ' 34' ' ' LEU . 0.0 OUTLIER -70.1 -54.24 19.77 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.511 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.422 ' N ' HG22 ' A' ' 10' ' ' ILE . 0.2 OUTLIER -64.67 -25.23 67.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.743 179.883 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -75.53 -37.49 60.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.181 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.88 ' O ' HG23 ' A' ' 17' ' ' ILE . 13.2 m-70 -66.32 -32.25 73.54 Favored 'General case' 0 CA--C 1.52 -0.191 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 179.115 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.446 ' N ' HG13 ' B' ' 31' ' ' ILE . . . -64.75 -57.16 9.7 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.172 179.625 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp -62.28 -17.79 59.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.324 178.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.835 ' O ' HD23 ' A' ' 20' ' ' LEU . 31.9 tt0 -80.33 -34.48 36.65 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.973 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.88 HG23 ' O ' ' A' ' 13' ' ' HIS . 1.1 pp -72.57 -35.08 49.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.974 0.416 . . . . 0.0 110.619 179.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.427 ' N ' HG13 ' A' ' 17' ' ' ILE . 0.8 OUTLIER -75.19 -44.42 46.61 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.533 179.586 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -70.17 -24.63 63.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.481 179.513 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.835 HD23 ' O ' ' A' ' 16' ' ' GLU . 1.4 mm? -71.14 -43.6 67.23 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.045 179.305 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.46 ' HA ' HG21 ' B' ' 24' ' ' ILE . 0.0 OUTLIER -59.99 -50.54 73.34 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.404 179.446 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.6 -25.74 68.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.669 179.613 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -74.67 -31.51 61.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.934 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.682 HG23 ' O ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -69.9 -42.67 79.84 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 CA-C-O 121.087 0.47 . . . . 0.0 110.057 179.837 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.409 ' N ' HG13 ' A' ' 24' ' ' ILE . 0.4 OUTLIER -63.29 -43.77 96.93 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.421 179.53 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -58.63 -37.38 75.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.311 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.829 ' HB3' HG22 ' B' ' 17' ' ' ILE . 1.6 m-70 -68.8 -28.91 67.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.221 179.454 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.464 ' HA ' HG22 ' A' ' 31' ' ' ILE . 4.0 ttpt -72.41 -28.7 63.15 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.745 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.6 -35.62 52.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.801 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.1 m -75.34 -33.1 61.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.96 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.464 HG22 ' HA ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -76.68 -31.6 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.974 179.898 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -76.96 -36.3 56.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.658 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.14 -33.33 61.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.658 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.853 ' O ' HD11 ' B' ' 10' ' ' ILE . 3.7 mt -73.76 -32.74 63.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.605 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -71.46 -40.01 70.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.774 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 13.2 tp60 -75.71 -27.24 58.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.676 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.86 -25.9 48.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.763 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -73.82 -26.7 60.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -70.42 -27.18 64.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 59.0 156.63 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.91 179.946 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 120.893 0.378 . . . . 0.0 111.077 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . 0.466 ' O ' ' CE1' ' B' ' 5' ' ' HIS . 2.1 mt -107.32 174.82 5.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.73 24.64 5.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.947 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -85.11 -30.27 24.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.827 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . 0.466 ' CE1' ' O ' ' B' ' 2' ' ' LEU . 2.1 p-80 -55.35 -23.97 26.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.967 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.32 -57.74 7.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.896 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -52.34 -25.57 10.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.7 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -71.32 -58.18 3.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.319 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.489 ' HG3' ' CE1' ' B' ' 13' ' ' HIS . 1.6 tp10 -56.79 -21.54 29.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.339 179.033 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.853 HD11 ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -70.28 -54.13 20.01 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.504 179.91 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . 0.413 ' N ' HG22 ' B' ' 10' ' ' ILE . 0.2 OUTLIER -64.74 -25.31 67.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.789 179.919 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -75.36 -38.35 60.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.097 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . 0.883 ' O ' HG23 ' B' ' 17' ' ' ILE . 12.9 m-70 -65.33 -32.49 74.16 Favored 'General case' 0 CA--C 1.52 -0.197 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 179.097 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.441 ' N ' HG13 ' A' ' 31' ' ' ILE . . . -64.73 -57.17 9.7 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.253 179.676 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 3.6 mmtp -62.19 -17.67 58.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.384 178.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.846 ' O ' HD23 ' B' ' 20' ' ' LEU . 31.8 tt0 -80.3 -34.83 36.51 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.023 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.883 HG23 ' O ' ' B' ' 13' ' ' HIS . 1.1 pp -72.18 -35.14 52.05 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 CA-C-O 120.963 0.411 . . . . 0.0 110.668 179.704 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.422 ' N ' HG13 ' B' ' 17' ' ' ILE . 0.8 OUTLIER -74.76 -44.83 47.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.452 179.525 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -69.85 -24.31 63.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.465 179.529 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.846 HD23 ' O ' ' B' ' 16' ' ' GLU . 1.4 mm? -71.65 -42.74 67.19 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.115 179.345 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.413 ' HA ' HG21 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -60.65 -50.28 74.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.439 179.231 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.15 -25.43 68.08 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.641 179.591 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -74.7 -32.08 62.06 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.962 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.696 HG23 ' O ' ' B' ' 20' ' ' LEU . 0.5 OUTLIER -69.66 -42.65 80.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.046 0.45 . . . . 0.0 110.009 179.803 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . 0.406 ' N ' HG13 ' B' ' 24' ' ' ILE . 0.4 OUTLIER -63.02 -44.05 97.02 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.476 179.573 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -58.54 -37.51 75.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.304 179.472 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . 0.807 ' HB3' HG22 ' A' ' 17' ' ' ILE . 1.6 m-70 -68.74 -28.84 67.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.333 179.464 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.484 ' HA ' HG22 ' B' ' 31' ' ' ILE . 4.0 ttpt -72.47 -28.8 63.14 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.694 179.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.36 -35.75 54.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.864 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -75.24 -33.17 61.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.484 HG22 ' HA ' ' B' ' 28' ' ' LYS . 0.0 OUTLIER -76.76 -31.4 19.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.943 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -77.18 -36.07 55.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.645 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.23 -33.51 61.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.668 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.859 ' O ' HD11 ' A' ' 10' ' ' ILE . 3.7 mt -73.53 -32.84 64.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.641 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -71.36 -40.22 70.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.74 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 13.1 tp60 -75.64 -27.11 58.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.672 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.89 -25.84 48.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.752 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -73.87 -26.69 60.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.86 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -70.41 -27.24 64.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 58.96 156.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.314 -0.85 . . . . 0.0 110.839 -179.966 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.843 0.354 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.447 ' O ' ' CE1' ' A' ' 5' ' ' HIS . 0.5 OUTLIER -63.86 179.87 0.47 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.83 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -95.05 24.94 4.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.948 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -81.29 -34.01 32.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.823 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.447 ' CE1' ' O ' ' A' ' 2' ' ' LEU . 1.9 p-80 -51.28 -24.72 4.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.928 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -65.01 -48.13 75.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.806 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -56.46 -26.42 53.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.665 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -70.97 -59.14 2.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.215 179.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.471 ' O ' ' CD2' ' A' ' 13' ' ' HIS . 1.9 mt-10 -56.71 -21.57 28.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.33 179.229 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.714 HD12 HD12 ' B' ' 34' ' ' LEU . 0.0 OUTLIER -70.46 -51.51 37.11 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.697 179.928 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 21.4 p -66.34 -22.03 66.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.15 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.577 ' CD2' ' CE1' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -80.59 -39.4 27.62 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.559 -179.768 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.626 ' HB2' HD13 ' B' ' 31' ' ' ILE . 8.5 m-70 -70.8 -24.49 62.57 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.328 179.256 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.44 -51.75 12.32 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.447 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.416 ' O ' ' CB ' ' A' ' 19' ' ' ARG . 3.7 mttp -74.15 -14.56 60.98 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.441 178.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.5 ' HG2' ' CG ' ' B' ' 27' ' ' HIS . 0.6 OUTLIER -87.02 -33.5 19.55 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.722 179.777 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.684 HD13 ' O ' ' A' ' 17' ' ' ILE . 0.0 OUTLIER -77.64 -35.67 21.81 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 CA-C-O 120.859 0.362 . . . . 0.0 110.406 179.503 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.65 -39.09 37.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.325 179.254 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.416 ' CB ' ' O ' ' A' ' 15' ' ' LYS . 13.8 tpt85 -73.76 -27.31 61.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.513 179.571 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.81 ' HB3' HG22 ' B' ' 24' ' ' ILE . 13.0 mt -73.1 -41.2 64.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.012 179.417 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.402 ' O ' HG13 ' A' ' 24' ' ' ILE . 21.6 tt0 -61.13 -46.74 89.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.528 179.507 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.87 -33.08 74.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.764 179.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.05 -35.06 77.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.059 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.842 HG22 ' HB3' ' B' ' 20' ' ' LEU . 0.5 OUTLIER -66.99 -41.54 87.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.066 0.46 . . . . 0.0 110.117 179.844 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.401 ' N ' HG13 ' A' ' 24' ' ' ILE . 10.9 tt0 -59.16 -44.43 92.11 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.611 179.614 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.84 -49.4 73.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.245 179.554 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.508 ' CD2' HD11 ' B' ' 20' ' ' LEU . 25.0 m-70 -65.33 -23.46 67.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.624 179.404 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.447 ' CB ' HG13 ' B' ' 17' ' ' ILE . 0.2 OUTLIER -73.41 -32.64 64.55 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.655 179.831 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.74 -32.46 57.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.713 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.8 p -74.98 -35.14 62.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.697 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.628 HD13 ' HB2' ' B' ' 13' ' ' HIS . 7.1 tp -73.31 -34.99 45.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.079 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 48.3 mmtt -76.57 -33.97 58.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.648 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.4 mtpm? -73.87 -31.93 63.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.444 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.723 HD12 HD12 ' B' ' 10' ' ' ILE . 0.0 OUTLIER -70.53 -42.18 71.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.538 179.678 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.91 -38.97 92.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.792 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -75.54 -25.65 57.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.06 -25.31 40.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.416 ' OE2' HD13 ' B' ' 10' ' ' ILE . 1.8 tt0 -76.98 -25.73 53.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -72.79 -28.15 62.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 50.81 86.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.926 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.292 -0.861 . . . . 0.0 110.919 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.793 0.33 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . 0.443 ' O ' ' CE1' ' B' ' 5' ' ' HIS . 0.5 OUTLIER -63.93 179.75 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -94.88 24.92 4.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.909 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -81.16 -34.03 32.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.921 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . 0.443 ' CE1' ' O ' ' B' ' 2' ' ' LEU . 1.9 p-80 -51.35 -24.81 5.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.78 -47.75 77.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.861 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -57.06 -25.31 58.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.99 0.424 . . . . 0.0 110.724 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 8.6 m-20 -72.29 -58.41 3.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.219 179.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.468 ' O ' ' CD2' ' B' ' 13' ' ' HIS . 1.9 mt-10 -57.06 -21.81 34.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.343 179.107 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.723 HD12 HD12 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -70.37 -52.93 25.42 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.465 179.909 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 21.0 p -64.87 -22.1 66.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.219 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.582 ' CD2' ' CE1' ' B' ' 13' ' ' HIS . 0.0 OUTLIER -80.45 -39.98 27.15 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 116.565 -0.288 . . . . 0.0 110.644 -179.802 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . 0.628 ' HB2' HD13 ' A' ' 31' ' ' ILE . 8.6 m-70 -70.3 -24.28 63.0 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.402 179.262 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.57 -51.99 11.62 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.39 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . 0.417 ' O ' ' CB ' ' B' ' 19' ' ' ARG . 3.7 mttp -73.92 -14.18 61.01 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.445 178.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.488 ' HG2' ' CG ' ' A' ' 27' ' ' HIS . 0.6 OUTLIER -87.28 -33.63 19.19 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.762 179.786 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.69 HD13 ' O ' ' B' ' 17' ' ' ILE . 0.0 OUTLIER -77.73 -35.45 21.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.812 0.339 . . . . 0.0 110.358 179.537 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.89 -39.22 35.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.361 179.218 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . 0.417 ' CB ' ' O ' ' B' ' 15' ' ' LYS . 13.9 tpt85 -73.63 -27.53 61.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.534 179.541 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.842 ' HB3' HG22 ' A' ' 24' ' ' ILE . 13.2 mt -72.69 -41.71 65.01 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 109.892 179.379 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.402 ' O ' HG13 ' B' ' 24' ' ' ILE . 21.9 tt0 -60.49 -46.85 88.6 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.504 179.68 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . 0.402 ' HA ' ' HE2' ' B' ' 22' ' ' LYS . 0.0 OUTLIER -63.97 -32.89 74.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.753 179.861 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.33 -34.64 76.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.037 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.81 HG22 ' HB3' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -67.56 -41.4 85.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.965 0.412 . . . . 0.0 110.029 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . 0.407 ' N ' HG13 ' B' ' 24' ' ' ILE . 11.5 tt0 -59.3 -44.51 92.52 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.5 179.593 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.66 -49.38 73.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.255 179.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . 0.514 ' CD2' HD11 ' A' ' 20' ' ' LEU . 25.0 m-70 -65.25 -23.81 67.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.569 179.459 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.439 ' CB ' HG13 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -73.02 -32.87 65.38 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.7 179.824 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.56 -32.31 58.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.771 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 96.1 p -74.94 -35.29 62.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.758 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.626 HD13 ' HB2' ' A' ' 13' ' ' HIS . 7.1 tp -73.32 -34.83 44.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.123 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 48.7 mmtt -76.52 -34.29 58.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.578 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 6.4 mttm -73.56 -31.94 63.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.524 179.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.714 HD12 HD12 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -70.48 -42.25 71.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.59 179.709 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.98 -38.82 92.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.881 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -75.58 -25.79 57.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.87 -25.48 40.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . 0.433 ' OE2' HD13 ' A' ' 10' ' ' ILE . 1.8 tt0 -76.74 -25.89 53.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.802 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -72.72 -28.24 62.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 50.9 86.89 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.228 -0.891 . . . . 0.0 110.858 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.669 ' HB3' ' HG3' ' A' ' 4' ' ' LYS . . . . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.775 0.322 . . . . 0.0 111.038 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 tp -97.59 139.71 33.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.4 mptt 54.59 32.14 16.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.669 ' HG3' ' HB3' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -61.26 -37.44 83.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.922 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 5.0 p-80 -56.23 -46.9 79.37 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.831 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.32 -47.11 87.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.799 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 57.2 tt0 -57.24 -25.16 58.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.644 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -71.68 -58.48 3.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.311 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.498 ' HG3' ' CE1' ' A' ' 13' ' ' HIS . 3.2 tp10 -57.97 -21.96 46.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.528 179.217 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.922 HD12 HD22 ' B' ' 34' ' ' LEU . 0.0 OUTLIER -73.01 -50.52 31.64 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.499 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 11.4 m -62.42 -29.18 70.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.574 ' CD2' ' CE1' ' A' ' 13' ' ' HIS . 0.1 OUTLIER -70.8 -46.64 62.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.213 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.574 ' CE1' ' CD2' ' A' ' 12' ' ' HIS . 11.5 m-70 -63.24 -26.83 68.97 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.215 179.062 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.86 -52.01 53.91 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.452 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.44 -21.23 66.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.373 179.198 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.72 ' O ' HD23 ' A' ' 20' ' ' LEU . 44.5 mm-40 -74.2 -42.94 59.0 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.221 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.579 ' O ' HD12 ' B' ' 24' ' ' ILE . 0.3 OUTLIER -71.32 -38.15 68.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.785 0.326 . . . . 0.0 110.565 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -71.88 -29.73 64.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.916 0.389 . . . . 0.0 110.636 179.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -72.54 -41.16 66.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.118 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.739 ' O ' HG22 ' A' ' 24' ' ' ILE . 3.8 mm? -71.99 -26.15 62.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.593 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.571 ' OE1' HD11 ' B' ' 24' ' ' ILE . 1.8 tt0 -74.82 -34.83 62.41 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.422 179.45 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.48 -31.82 65.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.016 179.337 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.5 ' HB2' HD12 ' B' ' 20' ' ' LEU . 3.9 mm-40 -70.05 -49.35 52.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.989 179.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.739 HG22 ' O ' ' A' ' 20' ' ' LEU . 2.9 tt -65.01 -26.7 40.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 179.461 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 73.6 tt0 -64.59 -48.28 75.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.577 179.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.9 ttm180 -66.2 -39.3 89.56 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.821 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.802 ' O ' HG22 ' A' ' 31' ' ' ILE . 11.2 m-70 -72.35 -19.65 61.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.047 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.481 ' HB2' HD12 ' B' ' 17' ' ' ILE . 0.2 OUTLIER -79.2 -36.52 40.03 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.93 0.395 . . . . 0.0 110.552 179.714 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -75.61 -28.67 58.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.496 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.2 t -77.94 -41.81 35.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.846 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.802 HG22 ' O ' ' A' ' 27' ' ' HIS . 5.6 tp -75.74 -27.08 18.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.008 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.4 -32.4 29.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.548 179.553 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.5 tttt -76.87 -32.37 57.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.49 179.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.935 HD22 HD12 ' B' ' 10' ' ' ILE . 0.4 OUTLIER -74.22 -40.34 62.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.503 179.607 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.99 -35.93 77.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.581 179.723 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.06 -28.27 62.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.436 179.647 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.7 m -67.95 -29.61 68.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.52 179.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -61.8 -31.66 71.9 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.703 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.05 -24.91 61.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.929 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 70.82 109.41 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.951 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.232 -0.89 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . 0.669 ' HB3' ' HG3' ' B' ' 4' ' ' LYS . . . . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.843 0.354 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 tp -97.55 139.65 33.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.938 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 3.4 mptt 54.51 32.3 16.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.929 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . 0.669 ' HG3' ' HB3' ' B' ' 1' ' ' ALA . 0.0 OUTLIER -61.31 -37.48 83.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 5.0 p-80 -56.12 -47.0 78.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.811 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.36 -47.05 87.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.813 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 57.1 tt0 -57.17 -25.29 58.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.672 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -71.56 -58.45 3.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.415 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.491 ' HG3' ' CE1' ' B' ' 13' ' ' HIS . 3.2 tp10 -58.08 -22.0 48.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.456 179.269 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.935 HD12 HD22 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -73.02 -50.38 32.55 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.508 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 11.5 m -62.53 -29.21 70.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.856 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.572 ' CD2' ' CE1' ' B' ' 13' ' ' HIS . 0.0 OUTLIER -70.79 -46.59 62.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.189 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . 0.572 ' CE1' ' CD2' ' B' ' 12' ' ' HIS . 11.5 m-70 -63.28 -26.86 68.97 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.78 0.324 . . . . 0.0 110.15 179.124 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.93 -51.9 54.47 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.463 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.38 -21.36 66.67 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.418 179.1 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.725 ' O ' HD23 ' B' ' 20' ' ' LEU . 44.7 mm-40 -74.12 -42.94 59.25 Favored 'General case' 0 N--CA 1.456 -0.144 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.29 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.592 ' O ' HD12 ' A' ' 24' ' ' ILE . 0.3 OUTLIER -71.37 -38.15 67.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-O 120.791 0.329 . . . . 0.0 110.596 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -71.76 -29.84 64.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.943 0.401 . . . . 0.0 110.655 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -72.49 -41.15 66.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.118 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.759 ' O ' HG22 ' B' ' 24' ' ' ILE . 3.8 mm? -72.1 -26.1 62.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.516 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.564 ' OE1' HD11 ' A' ' 24' ' ' ILE . 1.8 tt0 -74.76 -34.91 62.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.409 179.433 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.43 -31.82 65.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.037 179.32 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . 0.519 ' HB2' HD12 ' A' ' 20' ' ' LEU . 3.9 mm-40 -70.17 -49.36 51.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.906 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.759 HG22 ' O ' ' B' ' 20' ' ' LEU . 2.9 tt -64.91 -26.84 41.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 179.453 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 73.6 tt0 -64.41 -48.39 75.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.589 179.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 2.9 ttm180 -66.23 -39.26 89.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.818 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . 0.808 ' O ' HG22 ' B' ' 31' ' ' ILE . 11.3 m-70 -72.36 -19.64 61.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.091 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.497 ' HB2' HD12 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -79.15 -36.53 40.3 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.845 0.355 . . . . 0.0 110.546 179.686 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -75.66 -28.64 58.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.468 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 5.3 t -77.99 -41.73 35.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.887 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.808 HG22 ' O ' ' B' ' 27' ' ' HIS . 5.6 tp -75.84 -27.05 18.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.947 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.51 -32.22 28.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.538 179.548 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 16.5 tttt -76.91 -32.46 57.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.42 179.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.922 HD22 HD12 ' A' ' 10' ' ' ILE . 0.4 OUTLIER -74.23 -40.32 62.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.483 179.689 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.88 -35.96 77.5 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.574 179.664 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.05 -28.24 62.22 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.503 179.603 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 1.7 m -67.95 -29.54 68.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.569 179.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -61.87 -31.61 71.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.75 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.1 -24.86 61.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.934 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 70.85 109.38 0.06 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.957 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.763 0.316 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.449 ' H ' HD12 ' A' ' 2' ' ' LEU . 0.2 OUTLIER -110.59 99.82 8.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.936 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.71 49.92 0.97 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.5 pttm -94.8 25.06 4.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -88.64 -33.87 17.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.794 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.417 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 1.0 OUTLIER -62.91 -39.47 94.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.828 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 83.0 mt-10 -63.61 -22.54 66.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.677 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -75.77 -60.05 2.49 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.919 0.39 . . . . 0.0 110.145 179.544 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.502 ' HG3' ' CE1' ' A' ' 13' ' ' HIS . 1.3 tp10 -65.72 -14.37 61.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.442 178.709 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.44 ' O ' ' CD1' ' B' ' 31' ' ' ILE . 13.3 mt -81.68 -43.35 19.88 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.985 179.755 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.1 t -66.02 -29.36 69.71 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.026 0.441 . . . . 0.0 110.227 179.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.518 ' CD2' ' ND1' ' A' ' 13' ' ' HIS . 0.1 OUTLIER -72.64 -48.15 41.7 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.16 179.702 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.518 ' ND1' ' CD2' ' A' ' 12' ' ' HIS . 11.9 m-70 -59.88 -28.27 67.41 Favored 'General case' 0 CA--C 1.521 -0.151 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.469 179.477 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.502 ' N ' HD13 ' B' ' 31' ' ' ILE . . . -67.28 -55.9 12.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.389 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.81 -13.89 62.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.62 178.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.825 ' O ' HD13 ' A' ' 20' ' ' LEU . 4.9 mm-40 -83.18 -35.26 25.63 Favored 'General case' 0 N--CA 1.457 -0.09 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.158 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.615 ' C ' HD13 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -76.17 -34.95 27.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-O 120.85 0.357 . . . . 0.0 110.465 179.658 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -77.41 -39.24 47.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.468 179.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 -73.5 -27.45 61.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.599 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.825 HD13 ' O ' ' A' ' 16' ' ' GLU . 3.7 mp -72.46 -40.9 66.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.109 179.354 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.418 ' HA ' HG21 ' B' ' 24' ' ' ILE . 12.6 tt0 -61.71 -47.56 84.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.595 179.512 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.3 ttpt -63.64 -31.87 73.17 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.587 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.71 -35.46 77.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.959 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.744 HG23 ' O ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -66.75 -41.73 88.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.034 0.445 . . . . 0.0 110.126 179.888 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.42 -43.92 92.98 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.492 179.647 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.76 -49.0 74.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.333 179.552 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.29 -25.83 68.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.649 179.622 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.451 ' CB ' HG13 ' B' ' 17' ' ' ILE . 0.5 OUTLIER -73.81 -33.35 64.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.925 179.868 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -73.3 -32.91 64.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.793 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -75.11 -40.65 59.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.093 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.468 ' HB ' ' HB3' ' B' ' 13' ' ' HIS . 0.0 OUTLIER -76.88 -24.55 15.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.878 0.37 . . . . 0.0 111.105 -179.886 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.3 mmtt -81.0 -31.9 34.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.483 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 35.0 tttt -78.87 -31.65 45.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.64 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.422 ' HB3' HG12 ' B' ' 10' ' ' ILE . 5.1 mt -77.59 -33.89 53.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.667 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.08 -33.92 61.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.738 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.78 -26.32 37.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.822 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.3 m -82.52 -26.79 32.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.717 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -78.66 -25.65 44.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.769 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -75.53 -25.8 57.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -162.89 91.78 0.75 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.94 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.186 -0.911 . . . . 0.0 110.871 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 120.849 0.357 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . 0.452 ' H ' HD12 ' B' ' 2' ' ' LEU . 0.2 OUTLIER -110.66 99.92 8.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.92 50.05 0.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.881 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 4.5 pttm -94.97 25.4 4.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -89.01 -33.48 17.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.778 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . 0.417 ' O ' ' CG1' ' B' ' 10' ' ' ILE . 1.0 OUTLIER -63.37 -39.32 94.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 83.2 mt-10 -63.35 -23.89 67.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.749 0.309 . . . . 0.0 110.667 179.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -74.48 -59.94 2.5 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.153 179.578 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.508 ' HG3' ' CE1' ' B' ' 13' ' ' HIS . 1.4 tp10 -66.15 -13.92 60.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.567 178.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.422 HG12 ' HB3' ' A' ' 34' ' ' LEU . 12.9 mt -82.05 -41.69 18.39 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.074 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 2.9 t -68.81 -28.59 66.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.17 179.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.525 ' CD2' ' ND1' ' B' ' 13' ' ' HIS . 0.1 OUTLIER -73.33 -48.36 34.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.213 179.682 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . 0.525 ' ND1' ' CD2' ' B' ' 12' ' ' HIS . 12.9 m-70 -60.44 -28.35 68.22 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.268 179.285 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.503 ' O ' HG22 ' B' ' 17' ' ' ILE . . . -66.16 -56.27 12.2 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.364 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . 0.402 ' HG3' ' O ' ' B' ' 12' ' ' HIS . 0.2 OUTLIER -67.41 -14.27 62.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.61 178.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.822 ' O ' HD13 ' B' ' 20' ' ' LEU . 4.9 mm-40 -82.6 -34.62 27.58 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.066 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.625 ' C ' HD13 ' B' ' 17' ' ' ILE . 0.0 OUTLIER -76.44 -35.19 26.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 120.86 0.362 . . . . 0.0 110.404 179.735 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -77.42 -38.97 48.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.408 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 30.2 mmt180 -73.69 -27.71 61.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.526 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.822 HD13 ' O ' ' B' ' 16' ' ' GLU . 3.6 mp -72.49 -40.81 66.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.051 179.469 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.443 ' HA ' HG21 ' A' ' 24' ' ' ILE . 12.6 tt0 -61.76 -47.41 85.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.527 179.581 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 7.4 ttpt -63.77 -31.57 72.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.621 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.96 -35.29 76.59 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.994 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.732 HG22 ' HB3' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -66.94 -41.62 87.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.062 0.458 . . . . 0.0 110.103 179.909 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.58 -43.8 93.55 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.42 179.682 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.84 -49.04 74.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.256 179.537 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . 0.737 ' O ' HG22 ' B' ' 31' ' ' ILE . 0.2 OUTLIER -62.42 -26.11 68.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.402 179.334 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.461 ' HA ' ' CG2' ' B' ' 31' ' ' ILE . 0.4 OUTLIER -73.72 -28.97 61.99 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.886 179.824 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -76.29 -34.1 59.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.579 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 1.1 m -73.57 -41.12 63.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.773 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.737 HG22 ' O ' ' B' ' 27' ' ' HIS . 2.8 tp -72.74 -29.18 29.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 13.7 mmtt -79.53 -32.07 42.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.001 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 31.5 tttt -79.7 -30.06 40.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.888 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.415 ' HB3' HG12 ' A' ' 10' ' ' ILE . 5.2 mt -80.2 -31.42 38.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.658 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.2 -33.02 50.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.698 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.33 -27.05 35.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.685 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 3.3 m -82.0 -26.86 33.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.743 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -78.55 -25.72 45.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.774 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -75.64 -25.73 57.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.915 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -162.95 91.9 0.75 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.914 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.197 -0.906 . . . . 0.0 110.912 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.831 0.348 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.489 ' H ' HD22 ' A' ' 2' ' ' LEU . 2.9 mm? -56.96 174.73 0.15 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.522 ' CG ' ' CE1' ' A' ' 5' ' ' HIS . 1.8 mptp? -86.07 -83.79 0.17 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.936 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm 50.05 25.38 1.68 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.954 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.522 ' CE1' ' CG ' ' A' ' 3' ' ' LYS . 1.7 p-80 -104.21 -30.4 10.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.563 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -74.05 -37.5 64.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.741 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.49 -33.38 74.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.601 179.726 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 51.0 m-20 -70.03 -56.54 6.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.112 179.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.469 ' O ' ' CD2' ' A' ' 13' ' ' HIS . 0.7 OUTLIER -58.42 -20.18 42.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.257 178.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.805 HD12 HD12 ' B' ' 34' ' ' LEU . 0.0 OUTLIER -71.14 -52.16 29.3 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.596 179.924 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 18.3 p -64.86 -24.54 67.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.018 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.569 ' CD2' ' CE1' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -76.98 -42.44 38.87 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.595 -179.894 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.569 ' CE1' ' CD2' ' A' ' 12' ' ' HIS . 7.8 m-70 -67.16 -25.34 66.11 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.2 179.092 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.44 ' N ' HD13 ' B' ' 31' ' ' ILE . . . -70.38 -55.2 9.67 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.089 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.6 -12.77 61.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.329 178.627 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.82 ' O ' HD23 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -83.29 -38.59 21.94 Favored 'General case' 0 N--CA 1.456 -0.175 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.165 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.662 HD12 ' CB ' ' B' ' 28' ' ' LYS . 2.6 tt -74.4 -34.37 36.14 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-O 120.877 0.37 . . . . 0.0 110.379 179.514 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -76.33 -41.65 47.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.573 179.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? -73.18 -25.02 60.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.659 179.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.82 HD23 ' O ' ' A' ' 16' ' ' GLU . 1.6 mm? -73.81 -39.67 63.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.942 179.418 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.415 ' CG ' HD13 ' B' ' 24' ' ' ILE . 3.2 mt-30 -62.67 -49.88 73.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.343 179.416 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.48 -29.51 70.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.44 179.628 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.21 -36.14 76.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.761 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.746 HG23 ' O ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -66.53 -41.73 88.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.036 0.446 . . . . 0.0 110.053 179.857 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.4 ' N ' HG13 ' A' ' 24' ' ' ILE . 10.9 tt0 -58.78 -43.87 90.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.391 179.556 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.5 tpp85 -56.1 -48.25 76.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.431 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.401 ' CG ' ' HB3' ' B' ' 16' ' ' GLU . 1.7 m-70 -63.59 -25.44 68.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.478 179.546 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.662 ' CB ' HD12 ' B' ' 17' ' ' ILE . 0.0 OUTLIER -72.35 -35.61 68.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.825 179.842 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -73.4 -31.54 63.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.975 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.3 t -73.47 -36.69 65.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.802 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.533 HD13 ' HB2' ' B' ' 13' ' ' HIS . 5.7 tp -71.11 -35.13 57.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.15 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.7 mmtp -76.4 -34.11 58.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.934 0.397 . . . . 0.0 110.76 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.3 mttt -74.96 -28.55 60.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.449 179.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.819 HD12 HD12 ' B' ' 10' ' ' ILE . 0.0 OUTLIER -72.73 -43.03 63.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.553 179.676 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.435 ' HA ' HD11 ' B' ' 10' ' ' ILE . 0.1 OUTLIER -66.21 -37.98 86.86 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.781 179.895 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 41.6 tp60 -74.07 -25.17 59.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.848 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.2 t -76.37 -35.95 58.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.92 -25.69 64.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.86 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -73.77 -25.45 60.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 70.23 171.02 0.31 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.912 179.997 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.81 0.338 . . . . 0.0 111.065 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . 0.494 HD22 ' H ' ' B' ' 2' ' ' LEU . 2.9 mm? -56.96 174.74 0.15 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.831 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . 0.525 ' CG ' ' CE1' ' B' ' 5' ' ' HIS . 1.8 mptp? -86.2 -83.81 0.18 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm 50.09 25.36 1.69 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.028 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . 0.525 ' CE1' ' CG ' ' B' ' 3' ' ' LYS . 1.7 p-80 -104.21 -30.4 10.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.567 179.781 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -74.01 -37.65 64.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.713 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.46 -33.29 74.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.552 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 50.6 m-20 -70.1 -56.67 6.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.085 179.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.469 ' O ' ' CD2' ' B' ' 13' ' ' HIS . 0.7 OUTLIER -58.26 -20.26 40.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.298 178.922 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.819 HD12 HD12 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -71.11 -52.07 30.04 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.618 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 18.2 p -64.87 -24.59 67.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.006 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.58 ' CD2' ' CE1' ' B' ' 13' ' ' HIS . 0.0 OUTLIER -76.85 -42.57 39.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.52 -179.836 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . 0.58 ' CE1' ' CD2' ' B' ' 12' ' ' HIS . 7.8 m-70 -66.99 -25.58 66.38 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.146 179.122 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.1 -55.3 9.81 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.044 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.62 -12.69 61.67 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.283 178.628 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.82 ' O ' HD23 ' B' ' 20' ' ' LEU . 0.1 OUTLIER -83.44 -38.52 21.78 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.144 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.662 HD12 ' CB ' ' A' ' 28' ' ' LYS . 2.6 tt -74.53 -34.21 34.79 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-O 120.904 0.383 . . . . 0.0 110.339 179.559 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -76.5 -41.49 46.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.655 179.495 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? -73.23 -25.09 60.59 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.609 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.82 HD23 ' O ' ' B' ' 16' ' ' GLU . 1.6 mm? -73.64 -39.78 64.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 109.945 179.411 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.413 ' CG ' HD13 ' A' ' 24' ' ' ILE . 3.2 mt-30 -62.69 -49.77 73.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.402 179.449 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.53 -29.59 70.83 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.42 179.62 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.1 -36.04 77.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.794 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.728 HG23 ' O ' ' B' ' 20' ' ' LEU . 0.5 OUTLIER -66.62 -41.62 88.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.032 0.444 . . . . 0.0 110.057 179.854 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -58.88 -43.79 91.0 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.43 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 6.5 tpp85 -56.1 -48.43 76.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.389 179.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . 0.416 ' CG ' ' HB3' ' A' ' 16' ' ' GLU . 1.7 m-70 -63.39 -25.55 68.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.525 179.614 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.662 ' CB ' HD12 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -72.23 -35.84 68.97 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.828 179.876 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -73.24 -31.31 64.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.937 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 1.3 t -73.71 -36.67 65.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.786 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.498 HD13 ' HB2' ' A' ' 13' ' ' HIS . 5.7 tp -71.19 -34.91 56.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.185 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 5.7 mmtp -76.6 -34.09 58.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.769 179.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 18.3 mttt -74.9 -28.61 60.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.437 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.805 HD12 HD12 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -72.74 -42.94 63.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.554 179.711 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . 0.421 ' HA ' HD11 ' A' ' 10' ' ' ILE . 0.1 OUTLIER -66.23 -37.89 86.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.823 179.902 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 41.6 tp60 -74.22 -25.15 59.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.784 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 2.2 t -76.37 -35.82 58.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.96 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.07 -25.63 64.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.826 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -73.8 -25.49 60.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 70.17 170.99 0.31 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.925 179.974 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.848 0.356 . . . . 0.0 111.053 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.4 mp -93.85 80.79 4.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.48 ' HG2' ' CE1' ' A' ' 6' ' ' HIS . 0.2 OUTLIER -52.19 -65.66 0.52 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.434 ' CB ' ' O ' ' A' ' 3' ' ' LYS . 0.4 OUTLIER 85.15 -48.17 0.08 Allowed 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.294 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -48.9 -32.53 9.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.944 0.402 . . . . 0.0 110.903 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.48 ' CE1' ' HG2' ' A' ' 3' ' ' LYS . 0.3 OUTLIER -60.89 -54.92 39.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.375 179.677 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -52.76 -23.3 6.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.709 179.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -69.78 -60.96 1.98 Allowed 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.867 0.365 . . . . 0.0 110.503 179.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.475 ' CG ' ' NE2' ' A' ' 13' ' ' HIS . 1.3 tt0 -68.58 -11.18 59.64 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.76 179.113 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.739 HD13 ' HA ' ' B' ' 35' ' ' LYS . 68.8 mt -86.35 -32.07 6.59 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.903 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.3 t -76.8 -29.98 56.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.704 179.029 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.516 ' CD2' ' ND1' ' A' ' 13' ' ' HIS . 0.2 OUTLIER -72.62 -50.29 26.28 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.639 179.195 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.518 ' O ' HG23 ' A' ' 17' ' ' ILE . 14.2 m-70 -58.32 -36.22 73.04 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.033 179.275 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.443 ' N ' HG13 ' B' ' 31' ' ' ILE . . . -58.52 -52.75 64.31 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.298 179.713 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.0 tttt -60.3 -21.93 62.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.326 179.027 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.481 ' HB3' ' CE1' ' B' ' 27' ' ' HIS . 6.7 mm-40 -75.51 -39.01 59.01 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.258 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.874 HG22 ' HB3' ' B' ' 27' ' ' HIS . 1.1 pp -70.03 -34.61 60.36 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 CA-C-O 120.963 0.411 . . . . 0.0 110.978 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.431 ' N ' HG13 ' A' ' 17' ' ' ILE . 3.6 tt0 -73.51 -41.15 63.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.826 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.4 mtt180 -69.03 -30.79 69.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.573 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.63 ' O ' HG23 ' A' ' 24' ' ' ILE . 0.1 OUTLIER -69.36 -39.87 77.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.327 179.562 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.413 ' O ' HG13 ' A' ' 24' ' ' ILE . 4.8 tp-100 -61.72 -46.73 88.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.483 179.434 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.9 mtpt -60.9 -34.14 74.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.684 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.63 -39.47 88.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.007 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.63 HG23 ' O ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -62.27 -40.76 88.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.997 0.427 . . . . 0.0 110.2 179.88 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.417 ' N ' HG13 ' A' ' 24' ' ' ILE . 17.7 tp10 -61.9 -40.87 96.92 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.36 179.579 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.26 -43.29 78.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.157 179.513 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.848 ' HB3' HG22 ' B' ' 17' ' ' ILE . 0.2 OUTLIER -67.25 -28.11 67.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.167 179.394 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.54 ' HA ' HG22 ' A' ' 31' ' ' ILE . 1.4 tmmt? -73.59 -25.72 60.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.684 179.676 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -77.14 -39.41 49.31 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.67 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.25 -36.18 68.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.827 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.54 HG22 ' HA ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -76.26 -32.82 22.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.012 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.65 -27.67 51.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.662 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.82 -36.45 56.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.629 179.812 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.419 ' HB3' HG12 ' B' ' 10' ' ' ILE . 1.7 mt -71.6 -38.61 70.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.783 179.715 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.714 ' HA ' HD13 ' B' ' 10' ' ' ILE . 5.4 ttmm -70.28 -34.63 72.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -70.95 -33.01 70.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 28.7 p -68.15 -29.06 67.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -67.43 -27.55 67.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.29 -25.84 26.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 70.55 -84.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.919 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.8 0.333 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 1.4 mp -93.88 80.77 4.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . 0.485 ' HG2' ' CE1' ' B' ' 6' ' ' HIS . 0.2 OUTLIER -52.18 -65.7 0.51 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 179.932 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . 0.435 ' CB ' ' O ' ' B' ' 3' ' ' LYS . 0.4 OUTLIER 85.13 -48.17 0.08 Allowed 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.261 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -48.89 -32.34 8.77 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.877 0.37 . . . . 0.0 110.857 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . 0.485 ' CE1' ' HG2' ' B' ' 3' ' ' LYS . 0.3 OUTLIER -61.07 -54.87 39.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.323 179.736 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.403 ' HA ' ' HB ' ' B' ' 10' ' ' ILE . 3.2 tp10 -52.85 -23.35 6.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.684 179.392 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -69.75 -60.87 2.04 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.55 179.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.465 ' CG ' ' NE2' ' B' ' 13' ' ' HIS . 1.3 tt0 -68.76 -11.1 59.94 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.776 179.002 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.714 HD13 ' HA ' ' A' ' 35' ' ' LYS . 68.9 mt -86.65 -31.42 6.2 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.936 179.765 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 2.3 t -77.27 -29.91 54.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.65 178.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.518 ' CD2' ' ND1' ' B' ' 13' ' ' HIS . 0.2 OUTLIER -72.77 -50.18 26.09 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.622 179.216 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . 0.532 ' O ' HG23 ' B' ' 17' ' ' ILE . 14.1 m-70 -58.25 -36.44 73.21 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.12 179.207 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.448 ' N ' HG13 ' A' ' 31' ' ' ILE . . . -58.32 -52.49 65.36 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.311 179.691 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -60.73 -21.65 63.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.319 179.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.48 ' HB3' ' CE1' ' A' ' 27' ' ' HIS . 6.6 mm-40 -75.99 -38.2 57.68 Favored 'General case' 0 C--N 1.334 -0.097 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.271 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.848 HG22 ' HB3' ' A' ' 27' ' ' HIS . 1.1 pp -70.94 -34.24 54.96 Favored 'Isoleucine or valine' 0 C--O 1.232 0.168 0 CA-C-O 120.933 0.397 . . . . 0.0 110.976 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.427 ' N ' HG13 ' B' ' 17' ' ' ILE . 3.8 tt0 -74.23 -41.03 62.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.781 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 -68.34 -32.53 72.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.555 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.559 HD12 HG22 ' A' ' 24' ' ' ILE . 0.1 OUTLIER -66.52 -44.58 82.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.044 179.439 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.411 ' O ' HG13 ' B' ' 24' ' ' ILE . 4.7 tp-100 -57.2 -47.49 81.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.706 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 4.8 mtpt -60.23 -33.17 71.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.626 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.48 -39.34 85.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.131 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.595 HG22 HD12 ' A' ' 20' ' ' LEU . 0.6 OUTLIER -62.64 -40.28 87.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.987 0.422 . . . . 0.0 110.255 179.919 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . 0.41 ' N ' HG13 ' B' ' 24' ' ' ILE . 18.1 tp10 -62.2 -40.9 97.61 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.34 179.603 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.39 -42.93 78.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.143 179.477 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . 0.874 ' HB3' HG22 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -67.52 -28.24 67.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.154 179.357 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.545 ' HA ' HG22 ' B' ' 31' ' ' ILE . 1.4 tmmt? -73.63 -25.71 60.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.722 179.714 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -77.19 -39.47 48.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.621 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.2 -36.18 69.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.779 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.545 HG22 ' HA ' ' B' ' 28' ' ' LYS . 0.0 OUTLIER -76.17 -32.84 23.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.065 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.7 -27.48 50.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.672 179.783 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.88 -36.43 56.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.633 179.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.403 ' HB3' HG12 ' A' ' 10' ' ' ILE . 1.8 mt -71.67 -38.51 70.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.74 179.718 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . 0.739 ' HA ' HD13 ' A' ' 10' ' ' ILE . 5.5 ttmm -70.52 -34.42 72.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.803 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -71.16 -32.91 69.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.887 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 28.7 p -68.23 -29.11 67.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -67.39 -27.56 67.19 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.3 -25.78 26.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 70.47 -84.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.998 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.316 -0.85 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.299 0 CA-C-O 120.835 0.35 . . . . 0.0 111.065 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.3 mp -63.55 -175.55 0.13 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.89 71.27 0.93 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -84.8 -39.37 18.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.86 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 16.6 p-80 -50.95 -32.39 20.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.79 -55.66 21.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -51.56 -24.74 5.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.815 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -71.54 -59.08 2.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.332 179.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.01 -21.87 23.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.359 179.092 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.762 HD12 HD22 ' B' ' 34' ' ' LEU . 0.0 OUTLIER -70.82 -53.51 21.64 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.655 179.904 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.41 ' N ' ' CG2' ' A' ' 10' ' ' ILE . 0.4 OUTLIER -61.9 -24.74 67.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.99 -179.917 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.528 ' CD2' ' CE1' ' A' ' 13' ' ' HIS . 0.1 OUTLIER -75.11 -46.65 33.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.401 -179.87 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.949 ' O ' HG23 ' A' ' 17' ' ' ILE . 12.6 m-70 -62.33 -27.73 69.25 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.753 0.311 . . . . 0.0 110.383 179.534 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.402 ' O ' HG13 ' A' ' 17' ' ' ILE . . . -68.72 -55.42 11.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.256 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -62.38 -19.15 63.11 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.215 178.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.553 ' O ' HD12 ' A' ' 20' ' ' LEU . 6.4 mm-40 -79.32 -37.83 36.66 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.949 HG23 ' O ' ' A' ' 13' ' ' HIS . 1.1 pp -73.54 -34.67 42.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 120.88 0.371 . . . . 0.0 111.076 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.415 ' N ' HG13 ' A' ' 17' ' ' ILE . 1.7 tt0 -76.77 -36.01 57.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.661 179.737 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 30.7 ttm180 -72.66 -32.57 65.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.631 179.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.707 ' O ' HG23 ' A' ' 24' ' ' ILE . 15.2 mt -70.74 -40.62 72.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.292 179.621 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.43 ' HA ' HG21 ' B' ' 24' ' ' ILE . 0.1 OUTLIER -62.51 -42.36 99.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.66 179.6 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.6 mtmt -63.66 -36.29 83.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.63 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -66.18 -39.38 89.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.026 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.707 HG23 ' O ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -62.11 -40.16 86.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.054 0.454 . . . . 0.0 110.073 179.81 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.413 ' N ' HG13 ' A' ' 24' ' ' ILE . 13.4 tt0 -61.26 -41.78 97.51 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.387 179.549 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -55.67 -43.9 76.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.037 179.41 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.916 ' HB3' HG22 ' B' ' 17' ' ' ILE . 0.2 OUTLIER -65.91 -30.22 70.78 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.56 179.061 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.461 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 1.8 tmmt? -67.75 -25.72 65.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.81 179.71 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -78.84 -38.31 38.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.709 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.9 p -72.56 -31.34 65.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.396 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.72 HG21 HG21 ' B' ' 17' ' ' ILE . 3.8 tp -82.4 -28.71 8.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.718 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -81.38 -26.42 35.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.62 179.719 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.2 ttpt -82.46 -37.33 25.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.591 179.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.788 HD22 HD12 ' B' ' 10' ' ' ILE . 0.4 OUTLIER -77.7 -27.93 50.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.698 179.725 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.76 -33.37 30.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.673 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.0 tm0? -78.13 -27.63 48.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.749 179.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.6 t -77.49 -25.79 50.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.828 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -74.05 -28.8 61.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.826 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -73.75 -25.58 60.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -173.37 158.24 3.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.932 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.949 179.965 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.815 0.341 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.3 mp -63.58 -175.62 0.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.83 71.1 0.92 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.899 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -84.69 -39.34 18.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 16.8 p-80 -50.99 -32.31 20.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.78 -55.76 20.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -51.53 -24.66 5.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.845 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -71.59 -59.08 2.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.299 179.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.93 -21.95 23.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.323 179.078 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.788 HD12 HD22 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -70.76 -53.8 20.59 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.622 179.916 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . 0.413 ' N ' HG22 ' B' ' 10' ' ' ILE . 0.4 OUTLIER -61.7 -24.58 66.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.976 -179.907 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.534 ' CD2' ' CE1' ' B' ' 13' ' ' HIS . 0.1 OUTLIER -75.23 -46.72 32.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.425 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . 0.925 ' O ' HG23 ' B' ' 17' ' ' ILE . 12.7 m-70 -62.28 -27.83 69.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.711 0.291 . . . . 0.0 110.302 179.575 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.4 ' O ' HG13 ' B' ' 17' ' ' ILE . . . -68.57 -55.58 11.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.236 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -62.35 -19.2 63.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.177 178.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.552 ' O ' HD12 ' B' ' 20' ' ' LEU . 6.4 mm-40 -79.27 -37.64 37.4 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.122 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.925 HG23 ' O ' ' B' ' 13' ' ' HIS . 1.1 pp -73.68 -34.72 42.05 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 CA-C-O 120.855 0.359 . . . . 0.0 110.984 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.414 ' N ' HG13 ' B' ' 17' ' ' ILE . 1.6 tt0 -76.7 -36.02 57.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.728 179.746 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 30.8 ttm180 -72.74 -32.56 65.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.587 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.71 ' O ' HG23 ' B' ' 24' ' ' ILE . 15.5 mt -70.79 -40.54 72.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.281 179.654 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.418 ' HA ' HG21 ' A' ' 24' ' ' ILE . 0.1 OUTLIER -62.63 -42.31 99.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.595 179.684 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 14.6 mtmt -63.52 -36.46 83.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.645 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -66.08 -39.45 90.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.002 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.71 HG23 ' O ' ' B' ' 20' ' ' LEU . 0.5 OUTLIER -62.25 -40.01 86.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.034 0.445 . . . . 0.0 110.101 179.86 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . 0.415 ' N ' HG13 ' B' ' 24' ' ' ILE . 13.5 tt0 -61.39 -41.56 97.32 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.409 179.497 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -55.92 -43.74 77.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.016 179.349 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . 0.901 ' HB3' HG22 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -66.18 -29.73 70.07 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.717 179.038 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.467 ' HA ' ' CG2' ' B' ' 31' ' ' ILE . 1.8 tmmt? -68.43 -25.5 65.05 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.699 179.628 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -78.93 -38.45 37.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.717 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 1.9 p -72.36 -31.72 65.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.245 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.693 HG22 ' O ' ' B' ' 27' ' ' HIS . 4.0 tp -81.95 -28.94 9.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.672 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -81.09 -26.42 36.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.597 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 7.1 ttpt -82.53 -37.06 25.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.633 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.762 HD22 HD12 ' A' ' 10' ' ' ILE . 0.4 OUTLIER -77.98 -27.7 49.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.649 179.748 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.87 -33.34 30.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.707 179.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 6.0 tm0? -78.23 -27.74 47.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.653 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 8.6 t -77.36 -25.91 51.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -74.04 -28.82 61.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.832 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -73.64 -25.62 60.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.929 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -173.36 158.25 3.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.918 -179.959 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.74 0.305 . . . . 0.0 111.059 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -179.14 145.65 0.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.871 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 68.74 98.7 0.06 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 18.5 mttt -114.15 24.12 12.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.006 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -78.41 -38.85 40.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.671 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.434 ' C ' HD12 ' A' ' 10' ' ' ILE . 1.7 m-70 -61.29 -55.03 36.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.439 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.403 ' HA ' ' HB ' ' A' ' 10' ' ' ILE . 0.6 OUTLIER -52.48 -23.96 7.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.712 179.418 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -69.28 -61.14 1.91 Allowed 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.546 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.475 ' O ' ' CD2' ' A' ' 13' ' ' HIS . 4.9 mt-10 -69.83 -9.28 54.16 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.824 178.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.548 ' O ' ' HB2' ' A' ' 14' ' ' ALA . 74.4 mt -90.26 -27.37 5.11 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.045 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.8 p -80.18 -30.58 38.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.742 178.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.533 ' CD2' ' ND1' ' A' ' 13' ' ' HIS . 0.5 OUTLIER -77.8 -49.46 14.28 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.718 179.257 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.578 ' HB2' HD13 ' B' ' 31' ' ' ILE . 16.3 m-70 -66.33 -25.88 67.04 Favored 'General case' 0 CA--C 1.522 -0.117 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.016 178.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.548 ' HB2' ' O ' ' A' ' 10' ' ' ILE . . . -68.1 -47.56 67.87 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.236 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.424 ' O ' ' CB ' ' A' ' 19' ' ' ARG . 1.8 tttp -71.1 -17.44 62.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.684 179.129 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.615 ' O ' HD12 ' A' ' 20' ' ' LEU . 9.8 mm-40 -83.34 -34.34 25.68 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.387 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.677 HD13 ' O ' ' A' ' 17' ' ' ILE . 0.0 OUTLIER -80.67 -31.18 12.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-O 120.946 0.403 . . . . 0.0 110.526 179.789 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -82.0 -36.41 27.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.304 179.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.424 ' CB ' ' O ' ' A' ' 15' ' ' LYS . 2.2 tpm_? -76.07 -31.79 58.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.333 179.463 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.796 ' HB3' HG22 ' B' ' 24' ' ' ILE . 18.8 mt -72.61 -39.89 66.94 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.995 179.4 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.402 ' O ' HG13 ' A' ' 24' ' ' ILE . 0.6 OUTLIER -62.84 -42.62 99.81 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.702 179.655 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.01 -38.23 90.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.747 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.31 -39.41 93.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.175 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.795 HG22 ' HB3' ' B' ' 20' ' ' LEU . 0.5 OUTLIER -63.87 -39.08 84.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.066 0.46 . . . . 0.0 110.24 179.935 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.408 ' N ' HG13 ' A' ' 24' ' ' ILE . 3.5 mt-10 -59.94 -43.97 94.64 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.504 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -56.04 -49.99 72.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.981 0.419 . . . . 0.0 110.262 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.61 ' O ' HG22 ' A' ' 31' ' ' ILE . 0.3 OUTLIER -65.16 -23.7 67.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.624 179.469 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.463 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 0.7 OUTLIER -77.98 -25.38 48.05 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.94 179.904 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -77.9 -39.52 42.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.615 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.6 p -71.04 -37.86 72.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.907 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.61 HG22 ' O ' ' A' ' 27' ' ' HIS . 5.2 tp -75.6 -28.34 19.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.999 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.2 ttpt -76.44 -28.76 56.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.72 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.15 -36.88 47.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.685 179.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.7 mt -73.31 -31.32 63.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.8 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.79 -37.15 59.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.83 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.7 tm0? -72.54 -29.6 63.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.803 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.55 -28.98 63.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.859 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -70.11 -25.5 63.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -114.73 25.36 11.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.929 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -106.74 -64.84 1.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.296 -0.859 . . . . 0.0 110.895 179.977 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.904 0.383 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -179.13 145.63 0.27 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 68.73 98.65 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 18.5 mttt -114.09 24.19 12.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.047 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -78.48 -38.78 40.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.763 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . 0.447 ' C ' HD12 ' B' ' 10' ' ' ILE . 1.7 m-70 -61.21 -55.09 36.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.496 179.75 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.407 ' HA ' ' HB ' ' B' ' 10' ' ' ILE . 0.6 OUTLIER -52.41 -24.14 7.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.627 179.426 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -69.1 -61.23 1.88 Allowed 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.927 0.394 . . . . 0.0 110.585 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.472 ' O ' ' CD2' ' B' ' 13' ' ' HIS . 4.9 mt-10 -69.77 -9.37 54.31 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.812 178.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.529 ' O ' ' HB2' ' B' ' 14' ' ' ALA . 73.9 mt -90.29 -27.37 5.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 CA-C-N 116.213 -0.449 . . . . 0.0 109.977 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 11.0 p -80.15 -30.63 38.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.7 178.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.525 ' CD2' ' ND1' ' B' ' 13' ' ' HIS . 0.5 OUTLIER -77.77 -49.37 14.5 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.739 179.265 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . 0.565 ' HB2' HD13 ' A' ' 31' ' ' ILE . 16.4 m-70 -66.48 -25.72 66.85 Favored 'General case' 0 N--CA 1.457 -0.089 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.02 178.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.529 ' HB2' ' O ' ' B' ' 10' ' ' ILE . . . -68.14 -47.63 67.57 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 120.987 0.422 . . . . 0.0 110.265 179.77 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . 0.424 ' O ' ' CB ' ' B' ' 19' ' ' ARG . 1.8 tttp -71.09 -17.4 62.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.687 179.117 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.617 ' O ' HD12 ' B' ' 20' ' ' LEU . 9.8 mm-40 -83.35 -34.32 25.66 Favored 'General case' 0 CA--C 1.527 0.089 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.464 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.675 HD13 ' O ' ' B' ' 17' ' ' ILE . 0.0 OUTLIER -80.62 -31.15 12.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.912 0.387 . . . . 0.0 110.581 179.675 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -82.04 -36.36 27.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.3 179.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . 0.424 ' CB ' ' O ' ' B' ' 15' ' ' LYS . 2.2 tpm_? -76.21 -31.69 58.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.304 179.51 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.795 ' HB3' HG22 ' A' ' 24' ' ' ILE . 18.9 mt -72.61 -39.84 66.96 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.052 179.315 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.406 ' O ' HG13 ' B' ' 24' ' ' ILE . 0.6 OUTLIER -62.85 -42.72 99.86 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.623 179.626 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.04 -38.15 90.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.677 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.33 -39.36 93.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.125 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.796 HG22 ' HB3' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -64.04 -39.0 83.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.976 0.417 . . . . 0.0 110.195 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . 0.412 ' N ' HG13 ' B' ' 24' ' ' ILE . 3.5 mt-10 -59.91 -43.9 94.58 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.617 179.759 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 26.6 ttm180 -56.11 -49.96 72.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.311 179.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . 0.607 ' O ' HG22 ' B' ' 31' ' ' ILE . 0.3 OUTLIER -65.06 -23.76 67.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.626 179.382 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.467 ' HA ' ' CG2' ' B' ' 31' ' ' ILE . 0.7 OUTLIER -78.02 -25.39 47.88 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -77.8 -39.73 42.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.586 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 11.7 p -70.83 -37.89 73.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.945 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.607 HG22 ' O ' ' B' ' 27' ' ' HIS . 5.1 tp -75.68 -28.25 19.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.948 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 3.2 ttpt -76.54 -28.73 56.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.626 179.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.21 -36.76 46.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.688 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.7 mt -73.35 -31.37 63.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.806 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.67 -37.19 59.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 6.7 tm0? -72.6 -29.43 63.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.809 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.62 -28.98 63.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -70.1 -25.54 63.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -114.72 25.43 10.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.91 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -106.82 -64.79 1.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.895 179.976 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.466 ' O ' HD23 ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.92 0.391 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.466 HD23 ' O ' ' A' ' 1' ' ' ALA . 0.3 OUTLIER 173.65 114.85 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.813 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.41 ' HE3' ' N ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -119.29 158.82 25.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.951 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.0 mmmt -96.85 -51.41 4.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.969 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -51.22 -40.92 59.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.609 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.769 ' C ' HD12 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -62.71 -55.42 26.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.403 179.702 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.453 ' N ' HD12 ' A' ' 10' ' ' ILE . 1.3 tt0 -53.07 -23.38 7.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.572 -0.286 . . . . 0.0 110.587 179.308 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -69.28 -61.43 1.79 Allowed 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.553 179.756 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.477 ' O ' ' CD2' ' A' ' 13' ' ' HIS . 39.9 mt-10 -68.99 -10.72 58.91 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 120.9 0.381 . . . . 0.0 110.765 178.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.769 HD12 ' C ' ' A' ' 6' ' ' HIS . 51.5 mt -87.98 -28.91 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.13 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.1 -30.26 43.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.811 179.008 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.53 ' CD2' ' ND1' ' A' ' 13' ' ' HIS . 0.3 OUTLIER -76.08 -48.39 20.97 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.824 179.332 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.53 ' ND1' ' CD2' ' A' ' 12' ' ' HIS . 17.5 m-70 -65.56 -27.7 68.62 Favored 'General case' 0 CA--C 1.522 -0.134 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 178.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.442 ' N ' HG13 ' B' ' 31' ' ' ILE . . . -65.22 -47.98 74.93 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.135 179.525 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -64.49 -25.08 67.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.201 179.119 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.473 ' HB3' ' CE1' ' B' ' 27' ' ' HIS . 0.1 OUTLIER -75.22 -36.04 61.4 Favored 'General case' 0 C--N 1.334 -0.095 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.101 179.878 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.583 HD12 ' CB ' ' B' ' 28' ' ' LYS . 2.4 tt -78.17 -24.78 13.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.748 0.309 . . . . 0.0 110.709 179.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -81.46 -35.61 30.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.956 0.407 . . . . 0.0 110.544 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 24.1 ttt-85 -74.11 -39.75 63.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.214 179.477 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.7 HD12 HG22 ' B' ' 24' ' ' ILE . 0.0 OUTLIER -67.41 -39.77 85.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.12 179.474 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.404 ' O ' HG13 ' A' ' 24' ' ' ILE . 11.5 tt0 -63.93 -37.34 87.04 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.603 179.651 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.43 -44.75 96.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.582 179.77 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -58.52 -45.88 87.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.973 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.686 HG22 HD12 ' B' ' 20' ' ' LEU . 0.6 OUTLIER -60.99 -35.45 65.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.092 0.472 . . . . 0.0 110.056 179.831 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.409 ' N ' HG13 ' A' ' 24' ' ' ILE . 1.5 tt0 -58.97 -43.06 91.27 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.452 179.638 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.3 ttt85 -58.45 -50.57 73.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.132 179.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.471 ' CE1' ' HB3' ' B' ' 16' ' ' GLU . 1.3 m-70 -62.23 -23.75 66.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.504 179.257 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.576 ' CB ' HD12 ' B' ' 17' ' ' ILE . 11.8 ttpt -78.75 -27.9 44.8 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.783 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.401 ' HG2' ' NZ ' ' A' ' 33' ' ' LYS . 0.6 OUTLIER -73.61 -38.2 65.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.631 179.889 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 59.7 p -71.31 -43.57 66.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.878 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.485 HG22 ' HA ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -74.55 -24.16 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.315 -179.828 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.447 ' NZ ' ' HE3' ' A' ' 28' ' ' LYS . 23.5 ttmt -82.36 -26.18 33.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.426 179.446 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.401 ' NZ ' ' HG2' ' A' ' 29' ' ' GLN . 0.0 OUTLIER -75.49 -41.4 55.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.443 179.621 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.541 HD23 ' CE1' ' B' ' 6' ' ' HIS . 17.1 mt -73.22 -36.94 66.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.76 179.771 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -76.48 -26.4 55.31 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.793 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.416 ' O ' ' N ' ' A' ' 40' ' ' ASP . 5.8 mm-40 -77.69 -30.93 52.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.687 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 73.6 m -69.48 -30.53 68.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.746 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.96 -33.95 76.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.784 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -147.12 52.38 1.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.895 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' A' ' 36' ' ' GLN . 13.5 t0 -49.99 140.1 12.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.3 t70 . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.317 -0.849 . . . . 0.0 110.884 179.987 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . 0.466 ' O ' HD23 ' B' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 120.845 0.355 . . . . 0.0 111.061 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . 0.466 HD23 ' O ' ' B' ' 1' ' ' ALA . 0.3 OUTLIER 173.78 115.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.782 179.901 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . 0.418 ' HE3' ' N ' ' B' ' 2' ' ' LEU . 0.0 OUTLIER -119.34 158.87 25.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 5.0 mmmt -96.89 -51.46 4.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -51.22 -40.91 59.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.623 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . 0.765 ' C ' HD12 ' B' ' 10' ' ' ILE . 0.0 OUTLIER -62.7 -55.36 27.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.399 179.717 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.461 ' N ' HD12 ' B' ' 10' ' ' ILE . 1.4 tt0 -53.08 -23.39 7.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.608 179.296 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -69.28 -61.43 1.79 Allowed 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.607 179.745 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.471 ' O ' ' CD2' ' B' ' 13' ' ' HIS . 40.1 mt-10 -69.04 -10.68 58.76 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 120.931 0.396 . . . . 0.0 110.736 178.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.765 HD12 ' C ' ' B' ' 6' ' ' HIS . 51.5 mt -88.03 -28.95 5.43 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.085 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.08 -30.21 43.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.819 179.011 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.529 ' CD2' ' CE1' ' B' ' 13' ' ' HIS . 0.3 OUTLIER -76.06 -48.4 20.99 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.725 -0.671 . . . . 0.0 109.814 179.365 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . 0.529 ' CE1' ' CD2' ' B' ' 12' ' ' HIS . 17.3 m-70 -65.47 -27.97 68.88 Favored 'General case' 0 CA--C 1.521 -0.15 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 178.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.445 ' N ' HG13 ' A' ' 31' ' ' ILE . . . -64.91 -48.22 74.94 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.161 179.51 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -64.32 -25.1 67.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.303 179.11 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.471 ' HB3' ' CE1' ' A' ' 27' ' ' HIS . 0.1 OUTLIER -75.24 -36.04 61.35 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.15 179.826 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.576 HD12 ' CB ' ' A' ' 28' ' ' LYS . 2.4 tt -78.25 -24.82 13.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.759 0.314 . . . . 0.0 110.652 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -81.31 -35.74 30.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.481 179.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 24.5 ttt-85 -74.06 -39.72 63.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.206 179.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.686 HD12 HG22 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -67.42 -39.56 85.47 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.25 179.465 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -64.12 -37.3 86.97 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.509 179.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.36 -44.8 96.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.633 179.723 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -58.63 -45.96 88.1 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.974 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.7 HG22 HD12 ' A' ' 20' ' ' LEU . 0.6 OUTLIER -60.71 -35.79 66.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.072 0.463 . . . . 0.0 110.055 179.872 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . 0.415 ' N ' HG13 ' B' ' 24' ' ' ILE . 1.5 tt0 -58.62 -43.55 89.69 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.4 179.67 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 6.3 ttt85 -57.8 -50.54 72.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.084 179.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . 0.473 ' CE1' ' HB3' ' A' ' 16' ' ' GLU . 1.4 m-70 -62.52 -23.52 67.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.472 179.366 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.583 ' CB ' HD12 ' A' ' 17' ' ' ILE . 11.7 ttpt -78.89 -27.32 43.91 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . 0.404 ' HG2' ' NZ ' ' B' ' 33' ' ' LYS . 0.7 OUTLIER -74.33 -38.12 63.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.557 179.894 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 59.8 p -71.43 -43.58 66.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.881 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.481 HG22 ' HA ' ' B' ' 28' ' ' LYS . 0.0 OUTLIER -74.87 -24.21 17.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.198 -179.927 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 14.7 ttpt -81.73 -26.89 34.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.313 179.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.404 ' NZ ' ' HG2' ' B' ' 29' ' ' GLN . 0.0 OUTLIER -75.31 -41.68 56.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.689 179.67 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.552 HD23 ' CE1' ' A' ' 6' ' ' HIS . 17.1 mt -72.81 -36.85 67.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.729 179.771 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -76.4 -26.76 55.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.805 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . 0.411 ' O ' ' N ' ' B' ' 40' ' ' ASP . 5.8 mm-40 -77.47 -30.71 53.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.662 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 73.6 m -69.67 -30.35 68.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.781 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.18 -33.75 76.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.77 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -147.25 52.15 1.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' B' ' 36' ' ' GLN . 13.5 t0 -49.83 139.95 12.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.96 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 1.3 t70 . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.939 179.992 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.836 0.35 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.421 ' CD2' ' OE2' ' B' ' 38' ' ' GLU . 0.5 OUTLIER -146.67 125.44 12.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.935 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.408 ' CD ' ' N ' ' A' ' 3' ' ' LYS . 0.7 OUTLIER -75.05 160.43 30.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.0 mtpt -114.1 -47.94 2.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -50.56 -32.25 18.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.939 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.776 ' CE1' HD23 ' B' ' 34' ' ' LEU . 0.1 OUTLIER -62.34 -57.15 12.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.429 179.834 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.408 ' HA ' ' HB ' ' A' ' 10' ' ' ILE . 6.8 mt-10 -51.09 -24.69 4.19 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.696 179.476 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.43 -60.98 2.04 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.538 179.758 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.463 ' O ' ' CD2' ' A' ' 13' ' ' HIS . 38.4 mt-10 -69.49 -9.67 54.79 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.809 179.034 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.494 ' O ' ' HB2' ' A' ' 14' ' ' ALA . 74.7 mt -89.9 -27.33 5.18 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 CA-C-N 116.222 -0.444 . . . . 0.0 109.993 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 17.8 m -79.97 -30.81 39.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.081 -0.508 . . . . 0.0 109.702 178.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.527 ' CD2' ' ND1' ' A' ' 13' ' ' HIS . 0.3 OUTLIER -77.24 -49.66 14.6 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.725 -0.671 . . . . 0.0 109.718 179.241 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.589 ' HB2' HD13 ' B' ' 31' ' ' ILE . 15.9 m-70 -65.29 -26.74 68.2 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.046 178.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.494 ' HB2' ' O ' ' A' ' 10' ' ' ILE . . . -67.27 -48.19 68.44 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.187 179.772 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.415 ' O ' ' CG ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -68.95 -18.41 64.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.538 179.094 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.566 ' O ' HD12 ' A' ' 20' ' ' LEU . 21.0 mm-40 -80.44 -38.61 29.75 Favored 'General case' 0 C--O 1.231 0.084 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.499 -179.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.73 HD13 ' O ' ' A' ' 17' ' ' ILE . 0.0 OUTLIER -78.14 -29.71 15.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.919 0.39 . . . . 0.0 110.763 179.871 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -81.08 -35.26 31.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.529 179.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.415 ' CG ' ' O ' ' A' ' 15' ' ' LYS . 71.5 mtp180 -74.55 -34.57 62.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.509 179.583 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.817 ' HB3' HG22 ' B' ' 24' ' ' ILE . 23.0 mt -71.03 -40.55 71.66 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.083 179.457 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.401 ' O ' HG13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -61.94 -40.6 96.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.758 179.729 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -42.72 99.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.725 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.66 -39.98 93.29 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.092 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.829 HG22 ' HB3' ' B' ' 20' ' ' LEU . 0.6 OUTLIER -63.63 -36.56 76.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.982 0.42 . . . . 0.0 110.077 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.41 ' N ' HG13 ' A' ' 24' ' ' ILE . 54.0 tt0 -60.88 -44.13 97.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.477 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 31.4 ttt-85 -56.42 -50.69 70.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.202 179.502 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.675 ' O ' HG22 ' A' ' 31' ' ' ILE . 0.2 OUTLIER -63.8 -24.32 67.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.487 179.359 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.46 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 6.3 ttmt -78.36 -24.69 46.31 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -76.83 -39.99 49.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.506 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.2 m -70.35 -40.93 73.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.737 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.675 HG22 ' O ' ' A' ' 27' ' ' HIS . 4.1 tp -75.92 -27.67 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.983 0.42 . . . . 0.0 110.885 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.4 ttmm -79.12 -26.26 42.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.715 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.9 ttpp -78.73 -38.71 38.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.673 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.781 HD23 ' CE1' ' B' ' 6' ' ' HIS . 0.2 OUTLIER -74.01 -32.92 63.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.759 179.914 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -76.85 -32.44 57.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.796 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -75.23 -30.02 60.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.819 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 69.8 m -72.72 -26.35 61.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.81 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.414 ' OE2' ' CD2' ' B' ' 2' ' ' LEU . 0.0 OUTLIER -70.94 -27.81 64.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.47 -41.82 54.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.916 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -166.13 143.41 5.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.834 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.156 -0.926 . . . . 0.0 110.879 -179.998 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.81 0.338 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . 0.414 ' CD2' ' OE2' ' A' ' 38' ' ' GLU . 0.5 OUTLIER -146.68 125.56 12.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.853 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . 0.405 ' CD ' ' N ' ' B' ' 3' ' ' LYS . 0.7 OUTLIER -75.07 160.42 30.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 179.935 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 11.9 mtpt -114.12 -47.91 2.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.866 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -50.59 -32.3 18.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.929 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . 0.781 ' CE1' HD23 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -62.24 -57.15 12.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.474 179.792 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -51.15 -24.61 4.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.735 179.478 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.51 -60.98 2.04 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.525 179.704 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.478 ' O ' ' CD2' ' B' ' 13' ' ' HIS . 38.4 mt-10 -69.4 -9.74 54.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.812 179.024 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.495 ' O ' ' HB2' ' B' ' 14' ' ' ALA . 74.6 mt -89.91 -27.34 5.18 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.995 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 17.8 m -79.94 -30.75 39.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.732 178.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.526 ' CD2' ' ND1' ' B' ' 13' ' ' HIS . 0.3 OUTLIER -77.26 -49.68 14.53 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.699 179.272 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . 0.592 ' HB2' HD13 ' A' ' 31' ' ' ILE . 15.9 m-70 -65.29 -26.79 68.22 Favored 'General case' 0 N--CA 1.457 -0.109 0 C-N-CA 120.714 -0.394 . . . . 0.0 109.998 178.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.495 ' HB2' ' O ' ' B' ' 10' ' ' ILE . . . -67.18 -48.22 68.6 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.058 0.456 . . . . 0.0 110.254 179.768 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . 0.424 ' O ' ' CG ' ' B' ' 19' ' ' ARG . 0.0 OUTLIER -68.94 -18.38 64.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.577 179.066 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.578 ' O ' HD12 ' B' ' 20' ' ' LEU . 20.9 mm-40 -80.51 -38.63 29.42 Favored 'General case' 0 N--CA 1.458 -0.068 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.505 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.735 HD13 ' O ' ' B' ' 17' ' ' ILE . 0.0 OUTLIER -78.17 -29.58 15.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.758 0.313 . . . . 0.0 110.7 179.856 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -81.09 -35.34 31.82 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.508 179.402 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . 0.424 ' CG ' ' O ' ' B' ' 15' ' ' LYS . 71.5 mtp180 -74.55 -34.55 62.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.475 179.633 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.829 ' HB3' HG22 ' A' ' 24' ' ' ILE . 23.0 mt -71.06 -40.5 71.62 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.157 179.412 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.407 ' O ' HG13 ' B' ' 24' ' ' ILE . 0.0 OUTLIER -61.98 -40.65 96.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.713 179.707 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -42.74 99.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.697 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.56 -39.97 93.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.118 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.817 HG22 ' HB3' ' A' ' 20' ' ' LEU . 0.6 OUTLIER -63.73 -36.48 76.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.023 0.44 . . . . 0.0 110.135 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . 0.418 ' N ' HG13 ' B' ' 24' ' ' ILE . 53.9 tt0 -60.9 -44.09 97.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.525 179.729 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 31.2 ttt-85 -56.44 -50.7 70.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.169 179.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . 0.693 ' O ' HG22 ' B' ' 31' ' ' ILE . 0.2 OUTLIER -63.89 -24.21 67.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.443 179.419 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.461 ' HA ' ' CG2' ' B' ' 31' ' ' ILE . 6.3 ttmt -78.38 -24.68 46.25 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -76.88 -39.99 49.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.48 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 2.2 m -70.35 -40.9 73.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.738 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.693 HG22 ' O ' ' B' ' 27' ' ' HIS . 4.1 tp -76.0 -27.63 18.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.839 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 2.4 ttmm -79.13 -26.27 42.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.661 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 9.9 ttpp -78.73 -38.71 38.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.731 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.776 HD23 ' CE1' ' A' ' 6' ' ' HIS . 0.2 OUTLIER -73.95 -32.92 63.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.823 179.847 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -76.87 -32.41 57.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.856 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -75.15 -30.11 60.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 70.0 m -72.68 -26.4 61.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.81 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . 0.421 ' OE2' ' CD2' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -70.94 -27.77 64.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.828 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.51 -41.8 54.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.935 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -166.17 143.36 5.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.205 -0.902 . . . . 0.0 110.904 179.996 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.42 0 CA-C-O 120.816 0.341 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.608 ' O ' HD23 ' A' ' 2' ' ' LEU . 7.8 tt -63.64 -25.45 68.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.956 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.415 ' HD2' ' NE2' ' A' ' 5' ' ' HIS . 36.1 mmtt -89.71 47.4 1.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.943 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.55 -35.34 77.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.825 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.415 ' NE2' ' HD2' ' A' ' 3' ' ' LYS . 2.5 p-80 -53.87 -25.09 18.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -59.49 -46.49 88.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -58.61 -25.85 63.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.722 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -73.28 -57.6 3.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.181 179.517 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.52 -20.87 34.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.336 179.008 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.775 HD11 ' O ' ' B' ' 34' ' ' LEU . 0.0 OUTLIER -73.21 -54.77 14.71 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.478 179.929 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.432 ' N ' HG22 ' A' ' 10' ' ' ILE . 0.5 OUTLIER -62.16 -25.75 67.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.687 179.924 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.513 ' CD2' ' ND1' ' A' ' 13' ' ' HIS . 0.2 OUTLIER -73.03 -48.3 37.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.328 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.91 ' O ' HG23 ' A' ' 17' ' ' ILE . 12.6 m-70 -59.79 -30.86 69.18 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.231 179.53 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.63 -55.71 18.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.444 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.407 ' O ' ' CB ' ' A' ' 19' ' ' ARG . 0.8 OUTLIER -63.93 -15.49 59.26 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.423 178.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.55 ' O ' HD12 ' A' ' 20' ' ' LEU . 5.1 mm-40 -84.05 -33.23 24.49 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.978 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.91 HG23 ' O ' ' A' ' 13' ' ' HIS . 1.0 OUTLIER -76.7 -37.37 28.66 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 CA-C-O 120.954 0.407 . . . . 0.0 110.429 179.821 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -77.81 -38.78 45.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.447 179.371 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.407 ' CB ' ' O ' ' A' ' 15' ' ' LYS . 7.1 ttt180 -73.43 -27.39 61.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.34 179.529 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.717 ' HB3' HG22 ' B' ' 24' ' ' ILE . 9.5 mt -71.44 -42.9 67.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.024 179.333 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.422 ' HA ' HG21 ' B' ' 24' ' ' ILE . 11.1 tt0 -61.1 -46.85 88.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.785 179.72 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.4 ttpp -62.4 -33.24 74.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.679 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -68.46 -36.49 79.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.96 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.714 HG23 ' O ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -65.14 -41.12 90.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.003 0.43 . . . . 0.0 110.15 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.407 ' N ' HG13 ' A' ' 24' ' ' ILE . 15.2 tt0 -61.1 -42.02 97.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.325 179.607 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.1 tpt85 -58.52 -39.76 81.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.263 179.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.784 ' HB3' HG22 ' B' ' 17' ' ' ILE . 0.2 OUTLIER -67.97 -27.75 66.85 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.94 179.352 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.475 ' HA ' HG22 ' A' ' 31' ' ' ILE . 1.2 ttmt -72.0 -32.59 67.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.689 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -69.69 -41.88 74.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.673 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.3 t -67.98 -42.34 80.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.106 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.772 HG21 HG21 ' B' ' 17' ' ' ILE . 5.6 tp -71.57 -24.83 23.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.169 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -78.59 -35.54 45.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.925 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.0 tttp -79.86 -27.38 40.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.729 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.812 ' O ' HD11 ' B' ' 10' ' ' ILE . 0.5 OUTLIER -81.49 -28.89 33.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.667 179.892 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.551 ' HE2' HG23 ' B' ' 10' ' ' ILE . 7.4 mmtp -80.17 -34.84 37.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.686 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.1 tm0? -78.17 -31.45 49.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.685 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.9 m -77.32 -27.57 52.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.772 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.29 -25.73 58.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.78 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -72.72 -25.97 61.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.865 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 70.31 136.86 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 31.8 t0 . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.856 179.997 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.799 0.333 . . . . 0.0 111.079 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . 0.62 HD23 ' O ' ' B' ' 2' ' ' LEU . 7.8 tt -63.72 -25.4 68.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . 0.408 ' HD2' ' NE2' ' B' ' 5' ' ' HIS . 36.1 mmtt -89.83 47.34 1.45 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.952 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.48 -35.44 77.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.85 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . 0.408 ' NE2' ' HD2' ' B' ' 3' ' ' LYS . 2.5 p-80 -53.8 -24.93 16.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.883 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -59.64 -46.29 89.44 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -58.78 -25.79 63.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.689 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -73.43 -57.7 3.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.168 179.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.2 -21.14 31.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.343 178.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.812 HD11 ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -72.88 -55.58 12.42 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.48 179.874 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . 0.446 ' N ' HG22 ' B' ' 10' ' ' ILE . 0.5 OUTLIER -61.33 -25.57 67.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.665 179.937 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.513 ' CD2' ' ND1' ' B' ' 13' ' ' HIS . 0.2 OUTLIER -73.28 -48.24 36.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.314 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . 0.924 ' O ' HG23 ' B' ' 17' ' ' ILE . 13.2 m-70 -59.98 -30.27 69.01 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.268 179.556 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.24 -55.91 15.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.369 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.59 -15.85 59.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.389 179.02 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.534 ' O ' HD12 ' B' ' 20' ' ' LEU . 5.1 mm-40 -83.58 -33.69 25.34 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.962 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.924 HG23 ' O ' ' B' ' 13' ' ' HIS . 1.0 OUTLIER -76.07 -37.6 33.56 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 CA-C-O 120.948 0.404 . . . . 0.0 110.524 179.748 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -77.28 -38.89 49.87 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.446 179.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 -73.49 -27.07 61.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.364 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.75 ' O ' HG23 ' B' ' 24' ' ' ILE . 9.9 mt -72.27 -41.61 66.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.242 179.409 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.426 ' HA ' HG21 ' A' ' 24' ' ' ILE . 11.3 tt0 -62.65 -46.16 89.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.549 179.628 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 1.4 ttpp -63.16 -33.34 75.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.0 0.429 . . . . 0.0 110.704 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -68.23 -36.94 80.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.99 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.75 HG23 ' O ' ' B' ' 20' ' ' LEU . 0.5 OUTLIER -64.81 -41.18 91.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.978 0.418 . . . . 0.0 110.199 179.881 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . 0.408 ' N ' HG13 ' B' ' 24' ' ' ILE . 15.2 tt0 -60.9 -41.82 96.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.332 179.585 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 5.2 tpt85 -58.99 -39.3 81.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.229 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . 0.765 ' HB3' HG22 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -68.48 -26.97 65.74 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.056 179.356 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.477 ' HA ' HG22 ' B' ' 31' ' ' ILE . 1.3 ttmt -73.17 -32.27 64.75 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.578 179.644 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -69.82 -42.0 74.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.728 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 12.4 t -67.97 -42.54 80.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.984 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.771 HG21 HG21 ' A' ' 17' ' ' ILE . 5.8 tp -71.2 -24.85 24.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.165 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -78.61 -35.57 45.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 5.1 tttp -79.62 -27.49 40.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.695 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.775 ' O ' HD11 ' A' ' 10' ' ' ILE . 0.5 OUTLIER -81.21 -29.13 34.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.69 179.863 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . 0.537 ' HE2' HG23 ' A' ' 10' ' ' ILE . 7.4 mmtp -80.06 -34.66 37.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.693 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 7.1 tm0? -78.5 -31.08 47.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.698 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 2.9 m -77.72 -27.53 50.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.754 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.36 -25.56 57.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.808 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -72.81 -26.01 61.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.87 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 70.16 136.98 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 32.2 t0 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.184 -0.912 . . . . 0.0 110.881 -179.993 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.785 0.326 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.408 ' O ' ' N ' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -90.18 -88.27 0.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.364 -179.661 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.4 tptt -43.23 93.99 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.795 0.331 . . . . 0.0 111.54 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -100.79 19.67 16.71 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.327 179.934 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -100.55 -32.33 10.83 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.912 0.387 . . . . 0.0 110.459 179.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -73.75 -39.04 64.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.963 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.4 ' O ' HG12 ' A' ' 10' ' ' ILE . 2.0 mt-10 -68.69 -32.89 73.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.779 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -68.83 -43.75 74.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.331 179.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -60.97 -46.35 91.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.732 179.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.508 ' O ' HD13 ' B' ' 31' ' ' ILE . 19.3 pt -68.15 -27.06 35.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.239 179.419 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.3 -43.18 92.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.243 0.544 . . . . 0.0 109.565 178.666 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.481 ' CE1' ' HG3' ' A' ' 16' ' ' GLU . 0.2 OUTLIER -68.31 -39.26 82.09 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.58 179.091 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.498 ' CD2' ' HA ' ' A' ' 10' ' ' ILE . 12.1 m-70 -61.89 -26.0 67.9 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.442 179.284 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.4 ' N ' HD13 ' B' ' 31' ' ' ILE . . . -71.0 -54.19 12.11 Favored 'General case' 0 CA--C 1.517 -0.304 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 179.661 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.3 mtpp -69.45 -10.84 59.77 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.427 178.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.804 ' O ' HD23 ' A' ' 20' ' ' LEU . 13.9 mm-40 -85.88 -37.74 18.81 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 116.576 -0.283 . . . . 0.0 111.115 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.594 HD12 ' CB ' ' B' ' 28' ' ' LYS . 3.4 tt -74.95 -33.08 28.68 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-O 120.925 0.393 . . . . 0.0 110.253 179.532 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -77.18 -40.89 43.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.653 179.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.415 ' NH1' ' OE1' ' A' ' 23' ' ' GLU . 16.1 ttp85 -73.65 -25.83 60.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.691 179.666 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.804 HD23 ' O ' ' A' ' 16' ' ' GLU . 2.0 mm? -74.29 -39.43 62.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.143 179.485 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.497 ' HG3' HD13 ' B' ' 24' ' ' ILE . 5.7 mt-30 -63.47 -47.45 81.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.358 179.509 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.61 -30.91 71.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.523 179.672 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.415 ' OE1' ' NH1' ' A' ' 19' ' ' ARG . 0.2 OUTLIER -68.2 -37.37 80.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.911 179.838 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.772 HG22 ' HB3' ' B' ' 20' ' ' LEU . 0.5 OUTLIER -65.38 -41.79 92.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.044 0.45 . . . . 0.0 109.924 179.783 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.413 ' N ' HG13 ' A' ' 24' ' ' ILE . 0.6 OUTLIER -58.34 -44.03 88.52 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.622 179.665 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.51 -50.2 70.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.014 0.435 . . . . 0.0 110.174 179.543 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.774 ' O ' HG22 ' A' ' 31' ' ' ILE . 45.8 m-70 -62.99 -25.4 68.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.363 179.337 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.597 ' CB ' HD12 ' B' ' 17' ' ' ILE . 15.2 ttpt -74.25 -27.74 60.9 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.97 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -76.92 -35.99 56.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.619 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.466 ' O ' HD12 ' A' ' 34' ' ' LEU . 14.7 t -72.89 -40.61 65.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.901 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.774 HG22 ' O ' ' A' ' 27' ' ' HIS . 3.4 tp -74.89 -31.28 25.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.176 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.42 -23.61 34.77 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.943 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 43.8 tttt -84.34 -31.75 24.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.398 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.486 HD13 HG22 ' B' ' 10' ' ' ILE . 9.6 mt -86.78 -27.13 23.78 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 120.949 0.404 . . . . 0.0 110.341 179.689 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.421 ' CE ' ' O ' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -83.76 -29.15 27.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.393 179.417 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -86.09 -30.28 22.7 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.501 179.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 32.5 m -86.02 -25.17 26.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.714 179.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.41 ' CB ' ' O ' ' A' ' 34' ' ' LEU . 3.5 tm-20 -87.9 -24.43 23.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.694 179.783 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -88.49 -25.48 22.55 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.789 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -142.16 52.87 1.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.7 t0 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.324 -0.846 . . . . 0.0 110.912 179.98 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.81 0.338 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.81 -173.42 4.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.345 179.7 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 43.18 77.04 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.873 0.368 . . . . 0.0 111.46 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.6 23.19 5.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.992 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -101.79 -32.04 10.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.574 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -74.12 -39.95 62.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.951 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.405 ' O ' HG12 ' B' ' 10' ' ' ILE . 1.8 mt-10 -68.32 -32.81 73.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.765 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -68.87 -43.78 74.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.35 179.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -61.02 -46.15 91.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.735 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.497 ' O ' HD13 ' A' ' 31' ' ' ILE . 19.9 pt -68.29 -27.17 35.92 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.192 179.435 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.3 -43.09 92.63 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 178.692 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.483 ' CE1' ' HG3' ' B' ' 16' ' ' GLU . 0.2 OUTLIER -68.27 -39.36 82.19 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.518 179.099 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . 0.49 ' CD2' ' HA ' ' B' ' 10' ' ' ILE . 12.1 m-70 -61.88 -25.97 67.87 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.463 179.328 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.94 -54.12 12.49 Favored 'General case' 0 CA--C 1.517 -0.292 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 179.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . 0.401 ' O ' ' HB2' ' B' ' 19' ' ' ARG . 3.3 mtpp -69.63 -10.86 59.91 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.324 178.573 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.799 ' O ' HD23 ' B' ' 20' ' ' LEU . 14.1 mm-40 -85.93 -37.6 18.9 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.167 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.597 HD12 ' CB ' ' A' ' 28' ' ' LYS . 3.5 tt -75.03 -33.13 28.38 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 CA-C-O 120.811 0.338 . . . . 0.0 110.211 179.516 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -77.14 -40.79 44.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.617 179.53 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . 0.417 ' NH1' ' OE1' ' B' ' 23' ' ' GLU . 16.5 ttp85 -73.82 -25.71 60.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.658 179.758 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.799 HD23 ' O ' ' B' ' 16' ' ' GLU . 1.9 mm? -74.37 -39.38 62.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.139 179.454 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.499 ' HG3' HD13 ' A' ' 24' ' ' ILE . 5.6 mt-30 -63.5 -47.45 81.68 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.387 179.42 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.59 -30.9 71.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.496 179.673 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . 0.417 ' OE1' ' NH1' ' B' ' 19' ' ' ARG . 0.2 OUTLIER -68.29 -37.28 80.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.855 179.914 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.768 HG22 ' HB3' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -65.39 -41.82 92.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.014 0.435 . . . . 0.0 109.964 179.72 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . 0.408 ' N ' HG13 ' B' ' 24' ' ' ILE . 0.6 OUTLIER -58.43 -43.97 88.96 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.531 179.754 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.58 -50.0 71.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.016 0.436 . . . . 0.0 110.217 179.554 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . 0.771 ' O ' HG22 ' B' ' 31' ' ' ILE . 45.3 m-70 -63.08 -25.55 68.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.294 179.334 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.594 ' CB ' HD12 ' A' ' 17' ' ' ILE . 15.1 ttpt -74.18 -27.97 61.07 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.916 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -76.72 -35.97 57.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.61 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . 0.47 ' O ' HD12 ' B' ' 34' ' ' LEU . 14.6 t -72.78 -40.71 65.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.902 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.771 HG22 ' O ' ' B' ' 27' ' ' HIS . 3.4 tp -74.85 -31.01 24.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.298 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.73 -23.46 34.03 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.859 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 42.9 tttt -84.45 -31.53 24.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.342 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.491 HD13 HG22 ' A' ' 10' ' ' ILE . 9.7 mt -87.04 -27.26 23.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.905 0.384 . . . . 0.0 110.196 179.744 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . 0.409 ' CE ' ' O ' ' B' ' 35' ' ' LYS . 0.0 OUTLIER -83.64 -29.16 27.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.415 179.369 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -85.86 -30.83 22.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.564 179.621 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 60.2 m -85.42 -25.63 26.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.681 179.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . 0.419 ' CB ' ' O ' ' B' ' 34' ' ' LEU . 3.5 tm-20 -87.29 -24.71 24.24 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.813 179.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -88.37 -25.31 22.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.823 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -142.44 52.78 1.43 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 2.8 t0 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.879 -179.992 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.672 ' C ' HD22 ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.485 1.312 0 CA-C-O 120.857 0.361 . . . . 0.0 111.058 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.672 HD22 ' C ' ' A' ' 1' ' ' ALA . 0.7 OUTLIER 56.19 166.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.6 ttpt 52.04 99.86 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.9 ptpp? -106.55 22.61 15.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.158 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -91.66 -61.08 1.71 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.027 0.441 . . . . 0.0 110.448 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.543 ' HB2' HD21 ' B' ' 34' ' ' LEU . 3.8 p-80 -63.19 -33.32 75.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.349 179.646 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.37 -27.61 68.01 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.111 179.147 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -68.97 -59.76 2.83 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.866 179.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.438 ' CG ' ' NE2' ' A' ' 13' ' ' HIS . 3.2 tt0 -64.18 -18.02 64.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.214 178.748 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.996 HG13 HD13 ' B' ' 34' ' ' LEU . 5.7 mt -81.29 -29.79 11.01 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.261 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.881 179.711 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.5 t -73.74 -36.27 65.13 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.118 179.482 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.51 ' CD2' ' ND1' ' A' ' 13' ' ' HIS . 0.2 OUTLIER -69.67 -48.8 58.46 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 115.91 -0.587 . . . . 0.0 109.832 179.527 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.673 ' HB2' HD13 ' B' ' 31' ' ' ILE . 13.2 m-70 -59.13 -33.06 70.43 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.765 0.317 . . . . 0.0 110.309 179.3 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.08 -45.85 90.21 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.351 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.419 ' O ' ' CB ' ' A' ' 19' ' ' ARG . 1.1 pttt -69.86 -16.42 63.25 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.364 178.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.516 ' O ' HD12 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -78.95 -44.29 22.84 Favored 'General case' 0 CA--C 1.528 0.109 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.508 -179.751 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.579 HD12 ' CB ' ' B' ' 28' ' ' LYS . 2.6 tt -76.41 -30.6 19.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.893 0.378 . . . . 0.0 110.576 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -79.64 -31.7 41.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.597 179.628 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.419 ' CB ' ' O ' ' A' ' 15' ' ' LYS . 51.5 ttt-85 -74.62 -40.05 61.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.764 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.951 ' CB ' HG22 ' B' ' 24' ' ' ILE . 7.6 mt -69.83 -36.02 75.24 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 179.523 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.606 ' CG ' HD13 ' B' ' 24' ' ' ILE . 0.0 OUTLIER -62.27 -43.06 99.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.664 179.715 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.9 ttpt -61.2 -44.89 96.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.967 0.413 . . . . 0.0 110.51 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -58.46 -41.53 85.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.958 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.928 HG22 ' CB ' ' B' ' 20' ' ' LEU . 0.7 OUTLIER -64.86 -30.44 50.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.995 0.426 . . . . 0.0 110.321 179.935 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.427 ' N ' HG13 ' A' ' 24' ' ' ILE . 8.0 tt0 -62.72 -45.51 92.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.063 179.384 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -57.44 -50.68 72.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.086 179.274 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.79 ' O ' HG22 ' A' ' 31' ' ' ILE . 6.8 m-70 -65.51 -20.34 66.3 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.544 179.245 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.584 ' CB ' HD12 ' B' ' 17' ' ' ILE . 6.9 ttpt -79.97 -26.64 39.91 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.754 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -76.95 -38.73 52.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.431 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.43 -41.1 66.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.806 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.79 HG22 ' O ' ' A' ' 27' ' ' HIS . 4.2 tp -76.36 -27.02 17.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.959 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.415 ' O ' ' CB ' ' A' ' 36' ' ' GLN . 34.5 ttpt -80.66 -25.53 38.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.531 179.457 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.9 mttm -77.34 -41.35 40.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.855 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.954 HD13 HG13 ' B' ' 10' ' ' ILE . 0.4 OUTLIER -75.57 -32.39 60.37 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.792 179.925 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt -81.55 -26.29 35.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.725 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.415 ' CB ' ' O ' ' A' ' 32' ' ' LYS . 7.9 tt0 -82.08 -25.86 34.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.789 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.86 -26.24 44.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -83.93 -29.51 27.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -88.25 -25.33 22.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -60.25 109.76 1.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.872 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . 0.665 ' C ' HD22 ' B' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.853 0.358 . . . . 0.0 111.034 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . 0.665 HD22 ' C ' ' B' ' 1' ' ' ALA . 0.7 OUTLIER 56.12 166.75 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.945 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 3.6 ttpt 51.93 100.01 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 1.9 ptpp? -106.58 22.4 15.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.041 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -91.48 -61.25 1.69 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.93 0.395 . . . . 0.0 110.473 179.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . 0.541 ' HB2' HD21 ' A' ' 34' ' ' LEU . 3.8 p-80 -62.92 -33.56 75.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.36 179.593 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.16 -27.66 68.19 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.088 179.234 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -69.01 -60.02 2.65 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.922 179.272 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.437 ' CG ' ' NE2' ' B' ' 13' ' ' HIS . 3.2 tt0 -63.89 -17.9 63.66 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.261 178.711 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.954 HG13 HD13 ' A' ' 34' ' ' LEU . 5.4 mt -81.0 -30.44 11.69 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.897 179.703 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 23.0 t -73.09 -36.61 66.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.174 179.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.522 ' CD2' ' ND1' ' B' ' 13' ' ' HIS . 0.2 OUTLIER -69.47 -48.53 60.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.839 179.563 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . 0.662 ' HB2' HD13 ' A' ' 31' ' ' ILE . 13.2 m-70 -59.56 -32.93 70.8 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.333 179.329 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.22 -45.5 91.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.478 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . 0.426 ' O ' ' CB ' ' B' ' 19' ' ' ARG . 1.1 pttt -70.14 -16.64 63.12 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.331 178.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.513 ' O ' HD12 ' B' ' 20' ' ' LEU . 0.0 OUTLIER -78.53 -44.48 24.22 Favored 'General case' 0 N--CA 1.457 -0.085 0 CA-C-N 116.51 -0.313 . . . . 0.0 111.585 -179.881 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.584 HD12 ' CB ' ' A' ' 28' ' ' LYS . 2.6 tt -76.27 -30.93 20.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 120.847 0.356 . . . . 0.0 110.551 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -79.13 -31.48 44.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.679 179.481 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . 0.426 ' CB ' ' O ' ' B' ' 15' ' ' LYS . 51.2 ttt-85 -74.8 -40.19 61.28 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.822 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.928 ' CB ' HG22 ' A' ' 24' ' ' ILE . 6.4 mt -70.48 -34.47 72.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.872 0.368 . . . . 0.0 110.017 179.592 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.611 ' CG ' HD13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -63.45 -43.1 98.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.47 179.565 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 18.6 ttpt -61.44 -44.62 96.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.963 0.411 . . . . 0.0 110.529 179.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -58.35 -42.01 85.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.996 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.951 HG22 ' CB ' ' A' ' 20' ' ' LEU . 0.7 OUTLIER -64.58 -30.52 50.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.977 0.418 . . . . 0.0 110.213 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . 0.419 ' N ' HG13 ' B' ' 24' ' ' ILE . 8.1 tt0 -62.28 -45.72 91.99 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.043 179.45 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -57.32 -50.62 72.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.067 179.263 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . 0.804 ' O ' HG22 ' B' ' 31' ' ' ILE . 6.8 m-70 -65.59 -20.01 66.14 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.584 179.254 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.579 ' CB ' HD12 ' A' ' 17' ' ' ILE . 6.9 ttpt -80.36 -26.56 38.59 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.733 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -76.99 -38.64 52.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.452 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.42 -41.21 66.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.863 179.759 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.804 HG22 ' O ' ' B' ' 27' ' ' HIS . 4.3 tp -76.24 -27.05 17.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.959 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . 0.42 ' CB ' ' O ' ' B' ' 28' ' ' LYS . 34.6 ttpt -80.71 -25.29 38.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.57 179.466 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 9.9 mttm -77.51 -41.29 39.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.861 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.996 HD13 HG13 ' A' ' 10' ' ' ILE . 0.4 OUTLIER -75.73 -32.19 59.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.794 179.932 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt -81.81 -26.49 34.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.701 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . 0.413 ' CB ' ' O ' ' B' ' 32' ' ' LYS . 8.0 tt0 -81.97 -25.83 34.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.789 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 3.1 m -78.78 -26.09 44.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.91 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -84.15 -29.77 26.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.831 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -87.95 -25.35 23.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.959 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -60.18 109.81 1.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.228 -0.891 . . . . 0.0 110.91 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.314 0 CA-C-O 120.87 0.367 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.445 ' O ' ' CD2' ' A' ' 5' ' ' HIS . 0.3 OUTLIER -68.71 160.48 30.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.42 ' CE ' ' CE1' ' A' ' 6' ' ' HIS . 0.0 OUTLIER -104.21 24.74 11.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.0 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.64 -41.23 32.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.783 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.445 ' CD2' ' O ' ' A' ' 2' ' ' LEU . 7.4 p80 -51.22 -24.96 4.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.782 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.42 ' CE1' ' CE ' ' A' ' 3' ' ' LYS . 5.9 m80 -60.29 -50.85 71.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.927 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -55.41 -25.46 35.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.775 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -72.45 -58.15 3.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.298 179.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -57.02 -21.15 28.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.309 179.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.718 HD11 ' O ' ' B' ' 34' ' ' LEU . 0.0 OUTLIER -72.73 -55.18 13.81 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.457 179.945 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.445 ' N ' HG22 ' A' ' 10' ' ' ILE . 0.4 OUTLIER -60.69 -26.17 66.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.725 179.91 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.521 ' CD2' ' ND1' ' A' ' 13' ' ' HIS . 0.2 OUTLIER -72.83 -49.12 32.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.268 179.927 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.935 ' O ' HG23 ' A' ' 17' ' ' ILE . 13.3 m-70 -59.55 -30.28 68.5 Favored 'General case' 0 CA--C 1.52 -0.199 0 C-N-CA 120.932 -0.307 . . . . 0.0 110.32 179.568 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.09 -55.28 19.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.426 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.0 mmtm -64.27 -15.21 59.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.534 179.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.564 ' O ' HD12 ' A' ' 20' ' ' LEU . 3.1 mm-40 -84.34 -33.62 23.83 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.901 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.935 HG23 ' O ' ' A' ' 13' ' ' HIS . 1.0 OUTLIER -76.23 -36.95 31.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 CA-C-O 120.99 0.424 . . . . 0.0 110.51 179.724 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -77.53 -40.01 44.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.291 179.286 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.0 -27.32 62.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.245 179.511 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.695 ' HB3' HG22 ' B' ' 24' ' ' ILE . 8.5 mt -71.19 -43.04 68.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.108 179.436 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.45 ' HA ' HG21 ' B' ' 24' ' ' ILE . 0.0 OUTLIER -60.65 -46.15 91.38 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.65 179.597 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.405 ' HA ' ' CE ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -62.68 -33.46 75.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.729 179.855 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -67.99 -37.26 81.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.049 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.701 HG22 ' HB3' ' B' ' 20' ' ' LEU . 0.5 OUTLIER -64.76 -40.81 90.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.066 0.46 . . . . 0.0 110.197 179.929 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.41 ' N ' HG13 ' A' ' 24' ' ' ILE . 0.2 OUTLIER -61.39 -41.15 96.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.314 179.566 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.9 ttp180 -58.31 -41.68 85.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.238 179.479 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.764 ' HB3' HG22 ' B' ' 17' ' ' ILE . 0.2 OUTLIER -66.83 -27.14 67.31 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.942 179.277 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.473 ' HA ' HG22 ' A' ' 31' ' ' ILE . 0.2 OUTLIER -72.4 -32.11 66.11 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.644 179.686 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -69.56 -41.61 75.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.682 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.84 -44.04 78.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.016 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.784 HG21 HG21 ' B' ' 17' ' ' ILE . 5.4 tp -70.19 -25.19 27.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.09 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.9 mtpp -77.6 -35.61 52.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.953 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.3 tptt -79.32 -27.26 42.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.713 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.707 ' O ' HD11 ' B' ' 10' ' ' ILE . 1.2 mt -80.79 -28.88 36.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.688 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 33.9 mttt -79.45 -36.56 38.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.764 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -78.06 -29.62 49.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.683 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.407 ' HG ' ' HA ' ' A' ' 34' ' ' LEU . 89.0 p -79.57 -26.5 41.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.14 -25.24 47.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.84 -28.58 60.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -111.8 118.15 34.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.178 -0.915 . . . . 0.0 110.857 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.792 0.33 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . 0.445 ' O ' ' CD2' ' B' ' 5' ' ' HIS . 0.3 OUTLIER -68.72 160.45 30.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . 0.421 ' CE ' ' CE1' ' B' ' 6' ' ' HIS . 0.0 OUTLIER -104.12 24.73 10.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.012 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.62 -41.27 32.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.83 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . 0.445 ' CD2' ' O ' ' B' ' 2' ' ' LEU . 7.4 p80 -51.2 -24.94 4.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.824 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . 0.421 ' CE1' ' CE ' ' B' ' 3' ' ' LYS . 5.9 m80 -60.33 -50.89 71.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.824 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -55.48 -25.4 36.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.748 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -72.42 -58.25 3.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.278 179.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -56.99 -21.11 28.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.317 179.081 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.707 HD11 ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -72.77 -55.01 14.32 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.485 179.934 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . 0.43 ' N ' HG22 ' B' ' 10' ' ' ILE . 0.4 OUTLIER -60.81 -26.18 67.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.734 179.901 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.514 ' CD2' ' ND1' ' B' ' 13' ' ' HIS . 0.2 OUTLIER -72.93 -48.9 32.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.284 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . 0.911 ' O ' HG23 ' B' ' 17' ' ' ILE . 13.4 m-70 -59.69 -30.18 68.61 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.339 179.543 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.403 ' O ' HG13 ' B' ' 17' ' ' ILE . . . -65.26 -55.23 19.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.345 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 28.1 mmtm -64.18 -15.36 59.72 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.497 178.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.565 ' O ' HD12 ' B' ' 20' ' ' LEU . 3.1 mm-40 -84.17 -33.71 24.15 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.977 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.911 HG23 ' O ' ' B' ' 13' ' ' HIS . 1.0 OUTLIER -76.22 -37.0 31.47 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 CA-C-O 120.928 0.394 . . . . 0.0 110.44 179.783 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -77.47 -39.99 44.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.262 179.295 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.0 -27.31 62.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.313 179.516 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.701 ' HB3' HG22 ' A' ' 24' ' ' ILE . 8.5 mt -71.19 -43.05 68.19 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.156 179.404 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.45 ' HA ' HG21 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -60.63 -46.2 91.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.609 179.61 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . 0.413 ' CE ' ' HA ' ' B' ' 22' ' ' LYS . 0.0 OUTLIER -62.62 -33.52 75.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.729 179.845 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -67.96 -37.24 81.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.091 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.697 HG23 ' O ' ' B' ' 20' ' ' LEU . 0.5 OUTLIER -64.88 -40.66 89.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.074 0.464 . . . . 0.0 110.202 179.944 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . 0.412 ' N ' HG13 ' B' ' 24' ' ' ILE . 0.2 OUTLIER -61.52 -41.09 96.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.302 179.526 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 10.9 ttp180 -58.38 -41.7 85.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.175 179.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . 0.786 ' HB3' HG22 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -66.83 -27.1 67.27 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.966 179.276 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.475 ' HA ' HG22 ' B' ' 31' ' ' ILE . 0.2 OUTLIER -72.39 -32.11 66.13 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.653 179.645 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -69.63 -41.56 75.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.709 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.72 -44.12 78.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.98 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.778 HG21 HG21 ' A' ' 17' ' ' ILE . 5.4 tp -70.14 -25.29 27.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 23.9 mtpp -77.56 -35.61 52.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.946 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 8.3 tptt -79.3 -27.28 42.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.774 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.718 ' O ' HD11 ' A' ' 10' ' ' ILE . 1.1 mt -80.8 -28.8 36.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.715 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 33.8 mttt -79.41 -36.63 38.78 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.799 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -78.08 -29.53 49.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.707 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . 0.44 ' HG ' ' HA ' ' B' ' 34' ' ' LEU . 89.1 p -79.61 -26.57 41.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.794 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.13 -25.3 47.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.69 -28.73 60.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -111.71 118.21 35.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.934 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.885 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.8 0.333 . . . . 0.0 111.091 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -91.95 126.15 36.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.513 179.725 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.447 ' CD ' ' N ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -100.42 -41.85 6.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.432 -179.502 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 72.14 -81.08 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.227 -179.951 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.491 ' CE1' ' ND1' ' A' ' 6' ' ' HIS . 20.5 p80 -45.01 -32.47 1.67 Allowed 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.074 0.464 . . . . 0.0 110.714 179.822 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.649 ' C ' HD12 ' A' ' 10' ' ' ILE . 2.2 m80 -66.4 -50.45 63.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.135 179.386 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.407 ' HA ' ' HB ' ' A' ' 10' ' ' ILE . 1.0 OUTLIER -57.35 -22.57 43.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.323 178.893 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -70.05 -62.34 1.43 Allowed 'General case' 0 C--O 1.231 0.111 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.603 179.77 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.465 ' O ' ' CD2' ' A' ' 13' ' ' HIS . 2.5 mp0 -68.28 -12.28 60.78 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-O 120.95 0.405 . . . . 0.0 110.582 179.007 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.649 HD12 ' C ' ' A' ' 6' ' ' HIS . 53.8 mt -86.03 -29.77 6.19 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.946 179.887 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 26.8 t -78.24 -30.49 48.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.785 179.076 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.556 ' CD2' ' CE1' ' A' ' 13' ' ' HIS . 0.1 OUTLIER -73.95 -48.01 33.53 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 115.745 -0.662 . . . . 0.0 109.776 179.519 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.556 ' CE1' ' CD2' ' A' ' 12' ' ' HIS . 14.2 m-70 -64.18 -30.75 71.8 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 178.906 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.434 ' N ' HG13 ' B' ' 31' ' ' ILE . . . -65.32 -39.36 92.36 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.32 179.509 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 43.6 mttt -71.79 -23.47 61.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.433 179.193 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.453 ' OE2' ' CE1' ' A' ' 12' ' ' HIS . 0.3 OUTLIER -75.05 -41.62 58.67 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.224 179.897 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.705 HD12 ' CB ' ' B' ' 28' ' ' LYS . 2.2 tt -74.58 -34.21 34.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.745 0.307 . . . . 0.0 110.631 179.817 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -76.0 -29.47 58.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.436 179.611 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 18.8 ttp85 -73.32 -44.11 59.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.672 179.805 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.949 ' CB ' HG22 ' B' ' 24' ' ' ILE . 10.9 mt -66.31 -34.55 78.24 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.062 179.554 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.416 ' O ' HG13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -62.87 -44.04 97.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.63 179.642 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.3 mtpp -58.61 -46.52 86.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.591 179.684 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -57.76 -43.74 85.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.034 179.909 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.943 HG22 ' CB ' ' B' ' 20' ' ' LEU . 0.7 OUTLIER -63.18 -31.08 51.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 121.013 0.435 . . . . 0.0 110.188 179.934 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.425 ' N ' HG13 ' A' ' 24' ' ' ILE . 52.7 tt0 -61.6 -45.96 91.86 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.146 179.521 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.8 ttm-85 -57.22 -48.84 77.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.06 179.255 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.473 ' O ' HG22 ' A' ' 31' ' ' ILE . 0.2 OUTLIER -64.27 -22.78 67.07 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.616 179.313 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.704 ' CB ' HD12 ' B' ' 17' ' ' ILE . 0.0 OUTLIER -77.59 -30.13 52.33 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.87 179.968 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -74.41 -36.8 63.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.468 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.6 m -73.8 -42.66 60.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.904 179.872 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.473 HG22 ' O ' ' A' ' 27' ' ' HIS . 0.0 OUTLIER -76.69 -21.69 14.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.222 179.897 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.414 ' CB ' ' O ' ' A' ' 28' ' ' LYS . 3.9 ttmt -83.76 -28.46 28.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.927 0.394 . . . . 0.0 110.374 179.527 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -76.48 -39.27 53.66 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.505 179.71 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.1 mt -75.05 -36.99 61.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.591 179.818 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.5 ttpt -77.18 -25.88 52.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.765 179.839 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -79.2 -31.06 43.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.864 179.835 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.2 m -73.87 -25.54 60.1 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 179.911 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.3 tm-20 -73.67 -25.57 60.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -122.26 26.43 8.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.936 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.63 167.99 20.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 179.953 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.3 t0 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.915 179.984 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . 0.67 ' HB1' ' HE3' ' B' ' 3' ' ' LYS . . . . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.78 0.324 . . . . 0.0 110.96 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -103.38 118.38 36.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.29 -179.81 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . 0.67 ' HE3' ' HB1' ' B' ' 1' ' ' ALA . 0.0 OUTLIER -114.47 73.77 0.84 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.301 179.497 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 1.7 mmtp -45.06 -60.98 1.81 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.076 -0.511 . . . . 0.0 112.18 -179.387 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . 0.516 ' CE1' ' ND1' ' B' ' 6' ' ' HIS . 18.4 p80 -49.3 -35.15 17.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.718 0.294 . . . . 0.0 111.323 -179.141 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . 0.62 ' C ' HD12 ' B' ' 10' ' ' ILE . 2.7 m80 -64.75 -49.68 69.85 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.824 179.926 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.04 -22.39 49.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.722 0.296 . . . . 0.0 110.475 179.323 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -70.5 -62.03 1.54 Allowed 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.571 179.78 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.479 ' O ' ' CD2' ' B' ' 13' ' ' HIS . 2.3 mp0 -68.41 -12.42 61.13 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.001 0.429 . . . . 0.0 110.621 179.084 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.62 HD12 ' C ' ' B' ' 6' ' ' HIS . 53.5 mt -85.78 -30.29 6.36 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.079 179.868 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 26.8 t -77.81 -30.71 51.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.835 179.053 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.558 ' CD2' ' CE1' ' B' ' 13' ' ' HIS . 0.2 OUTLIER -73.54 -48.22 34.72 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.859 179.539 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . 0.558 ' CE1' ' CD2' ' B' ' 12' ' ' HIS . 14.2 m-70 -63.89 -30.95 71.99 Favored 'General case' 0 CA--C 1.521 -0.153 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 178.968 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.447 ' N ' HG13 ' A' ' 31' ' ' ILE . . . -65.23 -39.47 92.78 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.248 179.659 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 43.6 mttt -71.56 -23.59 61.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.36 179.265 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.449 ' OE2' ' CE1' ' B' ' 12' ' ' HIS . 0.3 OUTLIER -74.88 -41.94 58.81 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.15 -179.979 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.704 HD12 ' CB ' ' A' ' 28' ' ' LYS . 2.2 tt -74.33 -34.24 36.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.791 0.329 . . . . 0.0 110.653 179.869 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -76.01 -29.36 58.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.493 179.616 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 18.9 ttp85 -73.37 -44.13 59.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.663 179.808 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.943 ' CB ' HG22 ' A' ' 24' ' ' ILE . 10.8 mt -66.28 -34.6 78.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.1 179.511 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.416 ' O ' HG13 ' B' ' 24' ' ' ILE . 0.0 OUTLIER -62.8 -44.17 96.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.562 179.695 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 7.2 mtpp -58.49 -46.58 86.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.613 179.747 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -57.67 -43.8 85.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.009 179.878 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.949 HG22 ' CB ' ' A' ' 20' ' ' LEU . 0.6 OUTLIER -63.04 -31.2 51.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.993 0.425 . . . . 0.0 110.203 179.927 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . 0.428 ' N ' HG13 ' B' ' 24' ' ' ILE . 52.5 tt0 -61.67 -45.89 92.09 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.125 179.569 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 2.8 ttm-85 -57.22 -48.82 77.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.066 179.223 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . 0.478 ' O ' HG22 ' B' ' 31' ' ' ILE . 0.2 OUTLIER -64.32 -22.84 67.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.617 179.318 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.705 ' CB ' HD12 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -77.57 -30.15 52.47 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 179.942 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -74.25 -36.82 63.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.606 179.832 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 3.6 m -73.87 -42.52 60.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.831 179.881 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.486 HG22 ' HA ' ' B' ' 28' ' ' LYS . 0.0 OUTLIER -76.77 -21.77 14.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.173 179.96 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . 0.421 ' CB ' ' O ' ' B' ' 28' ' ' LYS . 3.9 ttmt -83.7 -28.45 28.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.412 179.523 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -76.52 -39.3 53.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.543 179.735 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 4.2 mt -75.06 -36.82 61.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.611 179.716 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 7.5 ttpt -77.25 -26.29 52.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.638 179.832 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -79.11 -30.63 43.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.79 179.929 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 58.7 m -74.07 -25.59 59.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.842 179.946 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -73.89 -25.56 60.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.948 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -122.07 26.69 8.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.941 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.84 167.87 20.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.883 179.948 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 3.3 t0 . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.188 -0.91 . . . . 0.0 110.899 179.952 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.795 0.331 . . . . 0.0 111.088 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -126.89 145.22 50.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 24.1 mtmt -123.23 82.96 2.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -82.64 -32.22 28.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.953 179.944 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 5.8 p-80 -52.39 -34.02 46.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.483 ' ND1' HD11 ' B' ' 34' ' ' LEU . 0.0 OUTLIER -61.51 -54.91 37.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.52 179.935 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.404 ' HA ' ' HB ' ' A' ' 10' ' ' ILE . 21.3 tt0 -53.17 -23.24 7.91 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.741 179.497 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -70.27 -60.42 2.29 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.511 179.786 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.478 ' O ' ' CD2' ' A' ' 13' ' ' HIS . 4.5 mp0 -69.95 -9.43 55.05 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.802 178.94 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.802 HD11 HD12 ' B' ' 34' ' ' LEU . 45.5 mt -89.15 -30.26 5.24 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.057 179.881 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 81.1 p -79.58 -29.28 41.18 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.967 179.098 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.523 ' CD2' ' ND1' ' A' ' 13' ' ' HIS . 0.5 OUTLIER -78.33 -48.75 14.96 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.902 179.435 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.609 ' HB2' HD13 ' B' ' 31' ' ' ILE . 16.3 m-70 -66.81 -25.94 66.7 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 120.461 -0.496 . . . . 0.0 109.863 178.77 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.479 ' HB2' ' O ' ' A' ' 10' ' ' ILE . . . -66.88 -49.58 65.17 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.179 179.694 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.6 tttt -68.14 -19.44 64.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.423 179.004 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.403 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 10.8 mm-40 -78.4 -38.39 41.73 Favored 'General case' 0 C--N 1.334 -0.087 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.476 -179.828 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.721 HD13 ' O ' ' A' ' 17' ' ' ILE . 0.0 OUTLIER -78.35 -27.97 14.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.836 0.351 . . . . 0.0 110.788 179.872 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -80.56 -34.45 35.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.376 179.423 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.3 mmt85 -73.45 -39.75 64.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.273 179.538 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.751 HD12 HG22 ' B' ' 24' ' ' ILE . 0.0 OUTLIER -66.52 -40.85 89.39 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.145 179.464 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.413 ' HA ' HG21 ' B' ' 24' ' ' ILE . 8.5 tt0 -60.32 -42.37 95.44 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.654 179.62 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.4 ttmt -59.94 -40.65 89.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.599 179.726 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.41 -47.88 83.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.107 179.946 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.755 HG22 HD12 ' B' ' 20' ' ' LEU . 0.6 OUTLIER -58.7 -36.14 58.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.048 0.451 . . . . 0.0 110.084 179.914 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.409 ' N ' HG13 ' A' ' 24' ' ' ILE . 0.5 OUTLIER -59.59 -43.95 93.51 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.435 179.632 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -55.75 -49.14 73.9 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.074 179.451 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.597 ' O ' HG22 ' A' ' 31' ' ' ILE . 0.5 OUTLIER -63.43 -25.92 68.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.283 179.265 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.468 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 5.5 ttmt -76.54 -25.37 54.03 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.869 179.911 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -75.72 -40.1 56.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.608 179.788 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 19.1 m -68.8 -41.73 78.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.88 179.812 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.627 HD13 ' HB2' ' B' ' 13' ' ' HIS . 4.2 tp -72.64 -26.42 23.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.949 179.884 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -75.99 -34.39 59.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.543 179.611 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.0 tmmm? -73.26 -33.22 65.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.438 179.574 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.818 HD12 HD11 ' B' ' 10' ' ' ILE . 0.1 OUTLIER -69.33 -42.06 75.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.632 179.784 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.7 ttmm -70.96 -29.23 65.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 179.996 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -75.3 -28.83 59.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 58.7 m -72.67 -29.01 63.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -68.88 -31.35 70.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -73.95 -45.32 51.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.851 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -146.29 150.73 36.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.955 179.946 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.0 p30 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.253 -0.879 . . . . 0.0 110.886 -179.967 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 120.754 0.311 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -126.91 145.14 50.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 -179.931 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 24.1 mtmt -123.21 83.0 2.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 7.9 mttt -82.61 -32.27 28.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 179.941 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 5.8 p-80 -52.44 -34.01 46.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.943 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . 0.483 ' ND1' HD11 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -61.47 -54.92 37.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.564 179.89 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.4 ' HA ' ' HB ' ' B' ' 10' ' ' ILE . 21.3 tt0 -53.19 -23.2 7.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.711 179.479 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -70.28 -60.44 2.27 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.501 179.79 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.471 ' O ' ' CD2' ' B' ' 13' ' ' HIS . 4.5 mp0 -69.93 -9.47 55.13 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.767 178.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.818 HD11 HD12 ' A' ' 34' ' ' LEU . 45.9 mt -89.08 -30.27 5.25 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.1 179.874 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 81.1 p -79.59 -29.31 41.14 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.939 179.115 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.532 ' CD2' ' ND1' ' B' ' 13' ' ' HIS . 0.5 OUTLIER -78.24 -48.83 14.92 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.822 -0.627 . . . . 0.0 109.903 179.428 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . 0.627 ' HB2' HD13 ' A' ' 31' ' ' ILE . 16.3 m-70 -66.82 -25.85 66.65 Favored 'General case' 0 C--N 1.333 -0.13 0 C-N-CA 120.433 -0.507 . . . . 0.0 109.931 178.804 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.479 ' HB2' ' O ' ' B' ' 10' ' ' ILE . . . -66.93 -49.61 64.99 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.14 179.672 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 17.5 tttt -68.08 -19.48 64.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.453 178.997 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.402 ' O ' ' HB2' ' B' ' 20' ' ' LEU . 10.8 mm-40 -78.38 -38.42 41.81 Favored 'General case' 0 C--N 1.334 -0.077 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.442 -179.806 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.726 HD13 ' O ' ' B' ' 17' ' ' ILE . 0.0 OUTLIER -78.37 -27.95 14.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.843 0.354 . . . . 0.0 110.768 179.924 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -80.5 -34.5 35.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.401 179.381 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 2.4 mmt85 -73.43 -39.67 64.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.3 179.531 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.755 HD12 HG22 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -66.65 -40.82 88.83 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.108 179.519 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -60.32 -42.33 95.37 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.659 179.619 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 3.4 ttmt -59.96 -40.72 90.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.575 179.728 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.33 -47.9 83.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 179.934 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.751 HG22 HD12 ' A' ' 20' ' ' LEU . 0.6 OUTLIER -58.73 -36.13 59.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.01 0.433 . . . . 0.0 110.045 179.949 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . 0.41 ' N ' HG13 ' B' ' 24' ' ' ILE . 0.5 OUTLIER -59.58 -44.02 93.45 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.427 179.623 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -55.69 -49.13 73.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.07 179.44 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . 0.604 ' O ' HG22 ' B' ' 31' ' ' ILE . 0.4 OUTLIER -63.47 -25.93 68.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.271 179.279 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.455 ' HA ' ' CG2' ' B' ' 31' ' ' ILE . 5.4 ttmt -76.51 -25.34 54.09 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.879 179.886 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -75.8 -40.1 55.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.569 179.811 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 19.2 m -68.81 -41.75 78.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.851 179.853 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.609 HD13 ' HB2' ' A' ' 13' ' ' HIS . 4.2 tp -72.64 -26.42 23.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.931 179.94 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 8.3 mmtt -75.99 -34.38 59.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.561 179.612 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 4.0 tmmm? -73.3 -33.13 65.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.461 179.572 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.802 HD12 HD11 ' A' ' 10' ' ' ILE . 0.1 OUTLIER -69.37 -42.1 75.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.613 179.764 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 3.7 ttmm -70.88 -29.26 65.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.954 179.954 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -75.29 -28.81 59.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 58.5 m -72.72 -28.99 62.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -68.89 -31.35 70.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -73.85 -45.39 51.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.953 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -146.23 150.74 36.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.918 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 3.0 p30 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.873 179.998 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.68 ' C ' HD23 ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.85 0.357 . . . . 0.0 111.064 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.68 HD23 ' C ' ' A' ' 1' ' ' ALA . 0.1 OUTLIER -153.09 54.39 0.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.93 -179.972 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.8 mmtm -55.67 -42.39 75.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.817 179.885 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 70.42 20.43 6.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.252 179.911 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.557 ' CE1' ' CE1' ' A' ' 6' ' ' HIS . 0.6 OUTLIER -93.1 -33.56 14.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.975 0.416 . . . . 0.0 110.593 179.685 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.557 ' CE1' ' CE1' ' A' ' 5' ' ' HIS . 3.6 m-70 -64.09 -41.48 97.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.485 179.806 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -61.65 -25.97 67.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.873 0.368 . . . . 0.0 110.281 179.296 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -68.91 -61.93 1.59 Allowed 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.312 179.455 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.669 ' HG2' HD13 ' B' ' 34' ' ' LEU . 10.3 tt0 -67.05 -13.21 61.7 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.566 178.944 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.585 ' O ' ' HB2' ' A' ' 14' ' ' ALA . 37.7 mt -87.38 -26.08 5.96 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.091 179.728 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.5 t -75.59 -40.46 56.48 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.804 179.034 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.533 ' CD2' ' ND1' ' A' ' 13' ' ' HIS . 0.3 OUTLIER -69.76 -50.4 43.69 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.559 179.123 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.533 ' ND1' ' CD2' ' A' ' 12' ' ' HIS . 16.1 m-70 -63.33 -27.7 69.5 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 178.591 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.585 ' HB2' ' O ' ' A' ' 10' ' ' ILE . . . -65.83 -34.94 79.31 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-O 121.243 0.544 . . . . 0.0 109.95 179.215 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.7 ttpt -74.43 -24.71 59.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.053 178.829 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.489 ' HB3' ' CG ' ' B' ' 27' ' ' HIS . 0.0 OUTLIER -74.09 -42.9 59.4 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.601 179.998 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.747 HD12 ' CB ' ' B' ' 28' ' ' LYS . 1.4 tt -74.79 -27.32 20.35 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-O 120.894 0.378 . . . . 0.0 110.417 179.642 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.99 -36.2 59.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.82 179.649 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -73.28 -43.01 61.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.63 179.799 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.812 ' O ' HG23 ' A' ' 24' ' ' ILE . 1.4 tp -68.62 -33.01 73.3 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.013 179.627 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.42 -41.73 96.44 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.394 179.418 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.48 -46.02 91.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.41 179.554 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.474 ' C ' HD23 ' B' ' 20' ' ' LEU . 0.2 OUTLIER -56.63 -44.78 81.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.75 179.645 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.812 HG23 ' O ' ' A' ' 20' ' ' LEU . 0.6 OUTLIER -68.4 -24.19 29.24 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.054 179.629 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.449 ' HA ' ' CG ' ' A' ' 28' ' ' LYS . 0.2 OUTLIER -73.84 -25.64 60.18 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.553 179.84 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -78.0 -45.83 22.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.448 179.644 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.486 ' CG ' ' HB3' ' B' ' 16' ' ' GLU . 1.2 m-70 -72.74 -25.83 61.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.089 179.842 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.748 ' CB ' HD12 ' B' ' 17' ' ' ILE . 0.0 OUTLIER -80.96 -29.73 35.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.82 0.343 . . . . 0.0 110.279 179.659 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.42 ' HB2' ' HE2' ' A' ' 28' ' ' LYS . 35.1 tt0 -70.46 -39.71 74.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.392 179.532 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.68 -44.26 67.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.749 179.767 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.598 HG22 ' HA ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -70.12 -23.64 25.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.145 -179.948 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.59 ' HD2' HG23 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -78.44 -33.34 48.54 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.618 179.611 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.9 mttm -71.47 -37.85 71.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.594 179.831 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.691 HD13 ' HG2' ' B' ' 9' ' ' GLU . 0.5 OUTLIER -70.09 -41.41 74.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 179.932 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.431 ' HA ' ' CD1' ' B' ' 10' ' ' ILE . 0.0 OUTLIER -74.21 -24.82 59.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.947 179.976 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -79.31 -27.15 42.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.825 179.829 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.11 -26.4 60.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -72.28 -24.83 61.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -136.98 29.84 2.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.841 -179.967 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 53.38 -177.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.2 t70 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.898 179.981 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . 0.683 ' C ' HD23 ' B' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.766 0.317 . . . . 0.0 111.056 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . 0.683 HD23 ' C ' ' B' ' 1' ' ' ALA . 0.1 OUTLIER -153.1 54.43 0.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.941 -179.962 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 14.9 mmtm -55.85 -42.36 75.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.746 179.932 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 70.4 20.43 6.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.275 179.903 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . 0.554 ' CE1' ' CE1' ' B' ' 6' ' ' HIS . 0.6 OUTLIER -93.08 -33.64 13.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.019 0.438 . . . . 0.0 110.604 179.736 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . 0.554 ' CE1' ' CE1' ' B' ' 5' ' ' HIS . 3.6 m-70 -64.04 -41.52 97.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.566 179.759 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -61.65 -25.95 67.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.263 179.328 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -68.88 -61.9 1.61 Allowed 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.338 179.469 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.691 ' HG2' HD13 ' A' ' 34' ' ' LEU . 10.2 tt0 -66.99 -13.35 61.8 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.502 178.911 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.593 ' O ' ' HB2' ' B' ' 14' ' ' ALA . 37.9 mt -87.32 -26.08 5.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.047 179.792 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 1.5 t -75.64 -40.47 56.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.724 179.061 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.532 ' CD2' ' ND1' ' B' ' 13' ' ' HIS . 0.3 OUTLIER -69.8 -50.3 44.35 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.513 179.194 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . 0.532 ' ND1' ' CD2' ' B' ' 12' ' ' HIS . 16.4 m-70 -63.51 -27.6 69.38 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 178.633 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.593 ' HB2' ' O ' ' B' ' 10' ' ' ILE . . . -65.93 -34.85 79.07 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.211 0.529 . . . . 0.0 109.891 179.252 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 4.8 ttpt -74.56 -24.66 58.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.934 178.895 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.486 ' HB3' ' CG ' ' A' ' 27' ' ' HIS . 0.0 OUTLIER -74.18 -42.79 59.31 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.552 -179.979 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.748 HD12 ' CB ' ' A' ' 28' ' ' LYS . 1.4 tt -74.86 -27.38 20.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.793 0.33 . . . . 0.0 110.318 179.64 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.01 -36.23 59.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.746 179.731 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -73.26 -43.1 61.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.62 179.806 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.81 ' O ' HG23 ' B' ' 24' ' ' ILE . 1.4 tp -68.55 -32.95 73.24 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.073 179.567 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.44 -41.74 96.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.378 179.439 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.48 -46.01 91.64 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.444 179.551 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . 0.472 ' C ' HD23 ' A' ' 20' ' ' LEU . 0.3 OUTLIER -56.74 -44.65 81.88 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.768 179.711 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.81 HG23 ' O ' ' B' ' 20' ' ' LEU . 0.6 OUTLIER -68.45 -24.25 29.2 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.022 179.579 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . 0.451 ' HA ' ' CG ' ' B' ' 28' ' ' LYS . 0.2 OUTLIER -73.78 -25.65 60.24 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.605 179.809 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -77.98 -45.91 22.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.411 179.662 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . 0.489 ' CG ' ' HB3' ' A' ' 16' ' ' GLU . 1.2 m-70 -72.68 -25.83 61.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.072 179.873 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.747 ' CB ' HD12 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -80.99 -29.73 35.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.925 0.393 . . . . 0.0 110.294 179.669 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . 0.414 ' HB2' ' HE2' ' B' ' 28' ' ' LYS . 35.2 tt0 -70.52 -39.54 74.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.392 179.539 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.78 -44.28 66.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.695 179.758 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.6 HG23 ' HD2' ' B' ' 32' ' ' LYS . 0.0 OUTLIER -70.07 -23.66 25.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.213 -179.956 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . 0.6 ' HD2' HG23 ' B' ' 31' ' ' ILE . 0.0 OUTLIER -78.39 -33.43 48.79 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.653 179.593 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 8.0 mttm -71.4 -37.93 71.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.613 179.812 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.669 HD13 ' HG2' ' A' ' 9' ' ' GLU . 0.5 OUTLIER -70.1 -41.31 74.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.947 179.897 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . 0.42 ' HA ' ' CD1' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -74.25 -24.77 59.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.903 179.894 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -79.46 -27.07 41.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.782 179.915 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.13 -26.5 60.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 179.876 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -72.08 -24.83 61.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.862 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -137.06 29.76 2.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.902 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 53.39 -177.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 2.2 t70 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.909 -179.984 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.28 0 CA-C-O 120.791 0.329 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.545 ' O ' HD23 ' A' ' 2' ' ' LEU . 1.0 OUTLIER -175.79 36.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.827 179.95 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.64 83.92 2.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.983 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.23 -37.83 2.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.11 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -59.69 -26.11 65.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.133 -179.923 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 10.3 p-80 -64.48 -34.14 77.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.955 -179.814 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.404 ' O ' HG22 ' A' ' 10' ' ' ILE . 21.7 tt0 -60.78 -38.98 87.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.733 179.758 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -67.04 -54.92 17.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.123 179.539 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.503 ' HG3' ' CE1' ' A' ' 13' ' ' HIS . 0.3 OUTLIER -59.56 -18.37 40.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.311 178.619 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.879 HD12 HD22 ' B' ' 34' ' ' LEU . 0.0 OUTLIER -71.77 -52.6 24.49 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.593 179.869 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.402 ' N ' HG22 ' A' ' 10' ' ' ILE . 21.4 m -63.04 -29.36 70.76 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.427 ' CD2' ' ND1' ' A' ' 13' ' ' HIS . 0.2 OUTLIER -72.49 -43.09 64.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.341 -179.919 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.923 ' O ' HG23 ' A' ' 17' ' ' ILE . 11.0 m-70 -61.33 -32.53 72.4 Favored 'General case' 0 C--O 1.224 -0.246 0 C-N-CA 120.926 -0.309 . . . . 0.0 110.369 179.549 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.401 ' O ' HG13 ' A' ' 17' ' ' ILE . . . -65.41 -56.37 12.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.875 0.369 . . . . 0.0 110.236 -179.944 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.4 ' O ' ' CG ' ' A' ' 19' ' ' ARG . 0.2 OUTLIER -64.15 -15.82 60.6 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.228 178.676 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.833 ' O ' HD23 ' A' ' 20' ' ' LEU . 12.8 tp10 -82.6 -33.78 27.87 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.041 179.887 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.923 HG23 ' O ' ' A' ' 13' ' ' HIS . 1.1 pp -74.57 -36.43 41.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 CA-C-O 120.928 0.394 . . . . 0.0 110.554 179.684 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -76.18 -41.53 49.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.403 179.443 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.4 ' CG ' ' O ' ' A' ' 15' ' ' LYS . 1.4 mmp_? -70.94 -26.45 63.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.444 179.565 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.833 HD23 ' O ' ' A' ' 16' ' ' GLU . 1.4 mm? -70.98 -43.47 67.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.99 179.354 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.448 ' HA ' HG21 ' B' ' 24' ' ' ILE . 12.0 tt0 -59.55 -49.29 78.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.651 179.617 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.403 ' O ' ' HE3' ' A' ' 22' ' ' LYS . 0.1 OUTLIER -63.35 -34.29 77.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.936 0.398 . . . . 0.0 110.621 179.837 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -64.85 -34.88 79.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.952 179.896 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.724 HG23 ' O ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -67.67 -42.74 86.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.009 0.433 . . . . 0.0 109.95 179.889 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.405 ' N ' HG13 ' A' ' 24' ' ' ILE . 2.5 tt0 -59.81 -41.57 91.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.306 179.504 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.19 -38.66 83.95 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.235 179.435 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.771 ' HB3' HG22 ' B' ' 17' ' ' ILE . 0.8 OUTLIER -66.36 -28.27 68.52 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.06 179.282 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.479 ' HG2' HD13 ' B' ' 17' ' ' ILE . 32.8 mtpt -72.82 -30.88 64.4 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.672 179.59 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -70.63 -40.63 72.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.673 179.867 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.47 -44.14 75.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.904 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.758 HG21 HG21 ' B' ' 17' ' ' ILE . 5.4 tp -70.35 -25.78 27.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.194 -179.94 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.9 mtpt -79.21 -32.91 44.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.025 179.926 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.8 tttt -78.81 -30.98 45.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 179.946 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.905 HD22 HD12 ' B' ' 10' ' ' ILE . 0.9 OUTLIER -79.22 -30.87 43.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.609 179.913 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.6 mttt -79.04 -35.2 43.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.606 179.755 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 49.9 tp60 -75.81 -30.89 59.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.627 179.831 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 7.8 t -72.77 -26.77 61.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.648 179.77 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -68.73 -32.71 72.69 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.796 179.868 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -63.38 -26.91 68.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.784 179.949 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 68.29 136.13 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.867 179.9 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.4 t0 . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.297 -0.858 . . . . 0.0 110.955 179.96 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.301 0 CA-C-O 120.829 0.347 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . 0.536 HD23 ' O ' ' B' ' 2' ' ' LEU . 1.0 OUTLIER -175.83 36.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.827 179.948 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.4 83.92 2.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.21 -37.81 2.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.109 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -59.8 -26.1 65.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.1 -179.868 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 10.3 p-80 -64.51 -34.05 77.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.934 -179.79 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.404 ' O ' HG22 ' B' ' 10' ' ' ILE . 21.8 tt0 -60.87 -38.87 87.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.794 179.755 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -67.0 -54.92 17.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.14 179.44 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.495 ' HG3' ' CE1' ' B' ' 13' ' ' HIS . 0.3 OUTLIER -59.53 -18.5 41.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.28 178.679 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.905 HD12 HD22 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -71.67 -52.72 23.91 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.543 179.908 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 21.2 m -63.08 -29.36 70.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.845 -179.923 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.427 ' CD2' ' ND1' ' B' ' 13' ' ' HIS . 0.2 OUTLIER -72.31 -43.36 64.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.314 -179.976 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . 0.915 ' O ' HG23 ' B' ' 17' ' ' ILE . 11.2 m-70 -61.11 -32.65 72.33 Favored 'General case' 0 CA--C 1.519 -0.219 0 C-N-CA 120.914 -0.314 . . . . 0.0 110.437 179.576 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.407 ' O ' HG13 ' B' ' 17' ' ' ILE . . . -65.36 -56.22 13.8 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.247 -179.947 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . 0.408 ' O ' ' CG ' ' B' ' 19' ' ' ARG . 0.2 OUTLIER -64.38 -15.68 60.91 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.181 178.688 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.825 ' O ' HD23 ' B' ' 20' ' ' LEU . 12.6 tp10 -82.66 -33.82 27.64 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.964 179.857 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.915 HG23 ' O ' ' B' ' 13' ' ' HIS . 1.1 pp -74.6 -36.54 41.28 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.158 0 CA-C-O 121.002 0.429 . . . . 0.0 110.565 179.739 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -76.37 -40.96 49.7 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.369 179.475 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . 0.408 ' CG ' ' O ' ' B' ' 15' ' ' LYS . 1.5 mmp_? -71.28 -26.2 62.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.458 179.501 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.825 HD23 ' O ' ' B' ' 16' ' ' GLU . 1.4 mm? -71.1 -43.7 67.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.004 179.483 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.453 ' HA ' HG21 ' A' ' 24' ' ' ILE . 10.9 tt0 -60.39 -47.69 85.0 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.562 179.506 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.59 -31.68 72.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.659 179.737 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . 0.409 ' OE1' ' CD1' ' A' ' 20' ' ' LEU . 33.2 tt0 -69.77 -34.15 73.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.08 -179.883 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.717 HG23 ' O ' ' B' ' 20' ' ' LEU . 0.5 OUTLIER -67.67 -42.56 86.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.036 0.446 . . . . 0.0 110.063 179.858 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . 0.404 ' N ' HG13 ' B' ' 24' ' ' ILE . 2.4 tt0 -59.99 -41.58 92.37 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.238 179.425 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.13 -38.37 82.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.234 179.388 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . 0.789 ' HB3' HG22 ' A' ' 17' ' ' ILE . 0.8 OUTLIER -66.69 -28.28 68.32 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.978 179.31 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.472 ' HG2' HD13 ' A' ' 17' ' ' ILE . 33.0 mtpt -73.02 -30.64 63.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.635 179.694 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -70.8 -40.56 72.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.807 179.729 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.43 -44.2 75.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.803 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.753 HG21 HG21 ' A' ' 17' ' ' ILE . 5.4 tp -70.25 -25.81 28.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.233 -179.943 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 13.9 mtpt -79.21 -32.84 44.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.021 179.92 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 7.8 tttt -78.88 -31.0 45.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.816 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.879 HD22 HD12 ' A' ' 10' ' ' ILE . 0.9 OUTLIER -79.2 -30.95 43.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.586 179.884 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 4.6 mttt -78.96 -35.17 43.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.648 179.733 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 50.3 tp60 -75.85 -30.84 59.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.655 179.789 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 7.9 t -72.89 -26.63 61.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.65 179.745 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -68.78 -32.75 72.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.772 179.862 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -63.43 -26.81 68.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.814 179.958 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 68.27 136.12 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.962 179.964 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 1.4 t0 . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.296 -0.859 . . . . 0.0 110.931 179.958 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.788 0.328 . . . . 0.0 111.059 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.1 tp -126.99 -76.29 0.58 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.941 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 60.27 150.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.969 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.403 ' HA ' ' HG2' ' A' ' 7' ' ' GLU . 0.1 OUTLIER -127.41 20.1 6.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.135 -179.999 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -95.4 -40.61 9.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.96 0.41 . . . . 0.0 110.329 179.65 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.576 ' HA ' HD11 ' B' ' 34' ' ' LEU . 2.0 m-70 -63.03 -42.08 99.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.557 179.727 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.403 ' HG2' ' HA ' ' A' ' 4' ' ' LYS . 0.8 OUTLIER -61.48 -24.68 66.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.357 179.286 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -70.45 -61.21 1.86 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.312 179.592 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.468 ' O ' ' CD2' ' A' ' 13' ' ' HIS . 8.7 mp0 -69.47 -10.77 59.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.738 178.979 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.594 ' O ' ' HB2' ' A' ' 14' ' ' ALA . 39.8 mt -90.15 -26.88 5.19 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.99 179.802 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.13 -29.27 34.84 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.817 179.189 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.53 ' CD2' ' CE1' ' A' ' 13' ' ' HIS . 0.6 OUTLIER -79.39 -48.58 13.76 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.763 179.481 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.53 ' CE1' ' CD2' ' A' ' 12' ' ' HIS . 19.4 m-70 -68.33 -27.13 66.01 Favored 'General case' 0 N--CA 1.457 -0.106 0 C-N-CA 120.523 -0.471 . . . . 0.0 109.911 178.802 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.594 ' HB2' ' O ' ' A' ' 10' ' ' ILE . . . -67.82 -46.0 73.1 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.322 179.795 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.413 ' O ' ' CB ' ' A' ' 19' ' ' ARG . 9.9 tttp -70.99 -20.28 62.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.584 179.328 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.564 ' O ' HD12 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -80.0 -35.63 37.1 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.48 -179.858 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.461 ' C ' HD13 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -79.6 -33.68 15.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.842 0.353 . . . . 0.0 110.587 179.882 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -80.13 -30.84 39.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.495 179.48 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.429 ' O ' ' CG ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -76.7 -38.93 53.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.628 179.779 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.917 ' HB3' HG22 ' B' ' 24' ' ' ILE . 17.6 mt -71.36 -33.97 70.04 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.331 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.417 ' O ' HG13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -63.64 -45.77 88.71 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.948 179.781 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.429 ' CG ' ' O ' ' A' ' 19' ' ' ARG . 6.0 pttt -61.69 -40.87 96.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.939 0.4 . . . . 0.0 110.464 179.737 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.423 ' N ' ' HG3' ' A' ' 22' ' ' LYS . 0.3 OUTLIER -59.69 -42.77 93.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.834 179.681 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.877 HG22 ' HB3' ' B' ' 20' ' ' LEU . 0.7 OUTLIER -63.58 -31.83 54.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 121.064 0.459 . . . . 0.0 110.049 179.771 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.424 ' N ' HG13 ' A' ' 24' ' ' ILE . 4.3 tt0 -61.57 -43.66 98.44 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.184 179.506 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -58.81 -50.84 72.45 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.192 179.308 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.562 ' CD2' HD11 ' B' ' 20' ' ' LEU . 21.2 m-70 -65.51 -19.44 65.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.492 179.184 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.479 ' HA ' HG22 ' A' ' 31' ' ' ILE . 4.6 ttmt -77.62 -32.53 53.51 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.702 179.826 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -72.8 -39.72 66.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.582 179.929 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.52 -39.7 77.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.832 179.811 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.527 HG22 ' O ' ' A' ' 27' ' ' HIS . 7.2 tp -74.53 -26.66 20.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.205 -179.957 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.2 ttmt -79.99 -29.79 39.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.761 179.896 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.3 tptt -76.94 -36.82 56.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.608 179.779 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.582 HD11 ' HA ' ' B' ' 6' ' ' HIS . 0.0 OUTLIER -73.51 -37.73 65.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.766 179.786 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -77.58 -27.48 51.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.577 179.8 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.419 ' O ' ' N ' ' A' ' 40' ' ' ASP . 70.9 mt-30 -78.29 -26.59 47.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.645 179.829 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 63.2 p -72.99 -31.18 64.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.907 179.903 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -73.1 -26.4 61.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.82 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -138.37 40.49 2.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.84 179.924 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.419 ' N ' ' O ' ' A' ' 36' ' ' GLN . 26.5 t0 -65.29 148.47 51.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 -179.915 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.276 -0.868 . . . . 0.0 110.984 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.758 0.313 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -127.05 -76.3 0.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . 0.4 ' HD3' ' N ' ' B' ' 3' ' ' LYS . 0.1 OUTLIER 60.24 150.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.844 179.962 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . 0.411 ' HA ' ' HG2' ' B' ' 7' ' ' GLU . 0.1 OUTLIER -127.51 20.23 6.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.238 179.894 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -95.46 -40.9 9.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.019 0.438 . . . . 0.0 110.374 179.631 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . 0.582 ' HA ' HD11 ' A' ' 34' ' ' LEU . 2.0 m-70 -62.84 -42.0 99.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.494 179.727 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.411 ' HG2' ' HA ' ' B' ' 4' ' ' LYS . 0.8 OUTLIER -61.5 -24.73 66.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.799 0.333 . . . . 0.0 110.412 179.314 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -70.33 -60.99 1.95 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.382 179.527 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.463 ' O ' ' CD2' ' B' ' 13' ' ' HIS . 8.6 mp0 -69.59 -10.78 59.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.771 178.941 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.6 ' O ' ' HB2' ' B' ' 14' ' ' ALA . 40.1 mt -90.18 -26.71 5.23 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.047 179.845 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.39 -29.4 33.99 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.869 179.036 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.533 ' CD2' ' ND1' ' B' ' 13' ' ' HIS . 0.5 OUTLIER -79.0 -48.56 14.22 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.846 179.389 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . 0.533 ' ND1' ' CD2' ' B' ' 12' ' ' HIS . 17.6 m-70 -68.25 -26.78 65.85 Favored 'General case' 0 CA--C 1.522 -0.103 0 C-N-CA 120.494 -0.482 . . . . 0.0 109.923 178.706 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.6 ' HB2' ' O ' ' B' ' 10' ' ' ILE . . . -68.04 -45.78 72.97 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.379 -179.921 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . 0.417 ' O ' ' CB ' ' B' ' 19' ' ' ARG . 9.7 tttp -71.43 -20.12 62.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.526 179.187 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.575 ' O ' HD12 ' B' ' 20' ' ' LEU . 0.0 OUTLIER -80.28 -35.79 35.39 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.54 -179.876 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.457 ' C ' HD13 ' B' ' 17' ' ' ILE . 0.0 OUTLIER -79.89 -33.1 14.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.832 0.349 . . . . 0.0 110.531 179.834 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -80.33 -30.83 38.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.508 179.36 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . 0.425 ' O ' ' CG ' ' B' ' 22' ' ' LYS . 0.0 OUTLIER -76.92 -38.67 52.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.708 179.721 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.877 ' HB3' HG22 ' A' ' 24' ' ' ILE . 17.1 mt -71.76 -33.18 68.43 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 179.286 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.415 ' O ' HG13 ' B' ' 24' ' ' ILE . 0.0 OUTLIER -64.4 -45.87 85.78 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.833 179.605 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . 0.425 ' CG ' ' O ' ' B' ' 19' ' ' ARG . 6.1 pttt -61.58 -40.9 96.44 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.878 0.37 . . . . 0.0 110.444 179.83 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . 0.419 ' N ' ' HG3' ' B' ' 22' ' ' LYS . 0.3 OUTLIER -59.6 -43.27 93.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.779 179.69 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.917 HG22 ' HB3' ' A' ' 20' ' ' LEU . 0.7 OUTLIER -63.58 -31.04 51.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.998 0.428 . . . . 0.0 110.029 179.873 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . 0.431 ' HA ' ' HE2' ' B' ' 28' ' ' LYS . 4.2 tt0 -62.23 -43.59 98.49 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.139 179.605 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -58.71 -49.79 76.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.041 179.317 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . 0.782 ' O ' HG22 ' B' ' 31' ' ' ILE . 21.4 m-70 -65.73 -21.17 66.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.67 179.422 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.451 ' HA ' ' CG2' ' B' ' 31' ' ' ILE . 15.6 ttpt -75.83 -33.57 60.07 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.546 179.652 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -71.5 -38.33 71.17 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.492 179.933 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.22 -41.78 69.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.168 179.892 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.782 HG22 ' O ' ' B' ' 27' ' ' HIS . 4.5 tp -74.65 -23.96 18.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.139 -179.942 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 20.4 ttmt -81.58 -31.33 32.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.622 179.524 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -75.65 -36.97 60.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.574 179.692 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.576 HD11 ' HA ' ' A' ' 6' ' ' HIS . 0.0 OUTLIER -72.95 -38.4 66.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.667 179.792 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -76.86 -26.75 54.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.645 179.785 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . 0.412 ' O ' ' N ' ' B' ' 40' ' ' ASP . 70.3 mt-30 -78.77 -26.47 44.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.735 179.842 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 63.5 p -72.97 -30.91 64.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.869 179.826 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -73.26 -25.92 60.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -138.75 40.13 2.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 179.904 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . 0.412 ' N ' ' O ' ' B' ' 36' ' ' GLN . 25.8 t0 -64.86 148.61 51.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.959 -179.953 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.253 -0.88 . . . . 0.0 110.901 179.963 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.839 0.352 . . . . 0.0 111.079 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.444 HD23 ' N ' ' A' ' 2' ' ' LEU . 0.3 OUTLIER -129.39 101.8 6.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.979 -179.993 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.516 ' CG ' ' CD2' ' A' ' 5' ' ' HIS . 0.1 OUTLIER -137.45 -76.41 0.4 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.825 -179.978 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.4 mttm 67.45 13.11 9.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.485 179.974 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.574 ' CE1' ' CE1' ' A' ' 6' ' ' HIS . 0.9 OUTLIER -94.1 -34.4 12.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.976 0.417 . . . . 0.0 110.47 179.695 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.574 ' CE1' ' CE1' ' A' ' 5' ' ' HIS . 0.9 OUTLIER -65.28 -26.34 68.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.443 179.569 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.26 -40.01 71.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.548 179.798 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 56.2 m-80 -62.4 -46.04 90.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.394 179.526 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -59.72 -48.9 79.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.324 179.584 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.501 ' HB ' HD12 ' B' ' 31' ' ' ILE . 12.6 pt -70.84 -13.74 17.37 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.382 178.894 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.5 p -68.73 -41.59 78.79 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 178.02 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.522 ' CD2' ' CE1' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -68.92 -44.93 72.11 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.568 178.765 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.684 ' HB2' HD13 ' B' ' 31' ' ' ILE . 9.2 m-70 -60.55 -27.54 67.75 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.241 179.239 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.11 -47.73 70.27 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.873 179.587 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.68 -17.52 64.61 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.255 178.716 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.482 ' HB3' ' CE1' ' B' ' 27' ' ' HIS . 25.7 mm-40 -77.15 -47.79 19.42 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.433 -179.846 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.714 HD12 ' CB ' ' B' ' 28' ' ' LYS . 3.4 tt -73.84 -28.16 23.79 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-O 120.921 0.391 . . . . 0.0 110.644 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -79.34 -32.2 43.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.227 179.371 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 37.7 ttt180 -70.03 -45.0 68.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.542 179.567 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.931 ' CB ' HG22 ' B' ' 24' ' ' ILE . 4.1 mt -66.07 -38.22 87.77 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.108 179.498 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.408 ' O ' HG13 ' A' ' 24' ' ' ILE . 9.4 tt0 -62.28 -34.24 76.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.547 179.673 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.7 ttmt -63.88 -50.63 68.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.431 179.513 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -56.55 -42.8 79.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.834 179.721 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.918 HG22 ' CB ' ' B' ' 20' ' ' LEU . 0.6 OUTLIER -64.19 -30.06 49.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.813 179.696 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.426 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 5.2 tt0 -60.99 -46.29 91.33 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.112 179.47 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 63.3 ttt180 -58.5 -46.05 87.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.126 0.489 . . . . 0.0 110.045 179.217 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.738 ' O ' HG22 ' A' ' 31' ' ' ILE . 0.3 OUTLIER -66.62 -21.53 66.12 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.994 179.518 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.729 ' CB ' HD12 ' B' ' 17' ' ' ILE . 0.0 OUTLIER -80.93 -25.94 37.08 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.836 0.35 . . . . 0.0 110.744 -179.993 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -73.81 -43.15 59.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.148 179.602 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.23 -49.21 68.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.663 179.577 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.738 HG22 ' O ' ' A' ' 27' ' ' HIS . 4.3 tp -67.9 -27.37 37.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.173 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.434 ' HA ' ' CG ' ' A' ' 35' ' ' LYS . 21.2 ttmt -79.21 -21.14 46.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.981 179.784 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -81.87 -38.09 25.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.351 -179.807 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.488 ' CB ' ' CG2' ' B' ' 10' ' ' ILE . 21.7 mt -81.28 -27.05 35.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.814 0.34 . . . . 0.0 110.717 -179.915 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.434 ' CG ' ' HA ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -86.52 -25.64 24.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.66 179.67 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.423 ' CB ' ' O ' ' A' ' 32' ' ' LYS . 0.3 OUTLIER -86.18 -26.2 25.25 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.643 179.721 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.1 t -85.19 -31.18 23.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.817 179.896 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.44 -25.19 25.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 179.836 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -97.84 -23.52 15.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.015 179.919 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 56.34 103.02 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.915 -179.983 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.8 t0 . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.889 179.961 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.785 0.326 . . . . 0.0 111.079 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . 0.451 HD23 ' N ' ' B' ' 2' ' ' LEU . 0.3 OUTLIER -129.39 101.75 6.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.981 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . 0.52 ' CG ' ' CD2' ' B' ' 5' ' ' HIS . 0.1 OUTLIER -137.24 -76.52 0.41 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.872 -179.995 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 5.5 mttm 67.51 12.88 9.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.57 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . 0.574 ' CE1' ' CE1' ' B' ' 6' ' ' HIS . 0.9 OUTLIER -93.97 -34.43 13.06 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.009 0.433 . . . . 0.0 110.503 179.68 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . 0.574 ' CE1' ' CE1' ' B' ' 5' ' ' HIS . 0.9 OUTLIER -65.16 -26.42 68.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.518 179.524 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.14 -39.83 71.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.6 179.714 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 56.4 m-80 -62.62 -45.89 90.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.404 179.578 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -59.65 -48.8 80.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.332 179.497 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.488 ' CG2' ' CB ' ' A' ' 34' ' ' LEU . 12.6 pt -70.9 -13.88 17.49 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.437 178.861 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 3.6 p -68.97 -41.42 77.94 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 178.056 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.526 ' CD2' ' CE1' ' B' ' 13' ' ' HIS . 0.0 OUTLIER -68.9 -45.81 69.94 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.603 178.732 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . 0.697 ' HB2' HD13 ' A' ' 31' ' ' ILE . 9.2 m-70 -59.98 -27.75 67.1 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.234 179.158 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.46 -48.07 71.08 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.876 179.701 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.36 -17.32 64.7 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.285 178.566 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.486 ' HB3' ' CE1' ' A' ' 27' ' ' HIS . 25.7 mm-40 -77.21 -47.54 19.97 Favored 'General case' 0 CA--C 1.528 0.113 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.582 -179.904 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.729 HD12 ' CB ' ' A' ' 28' ' ' LYS . 3.4 tt -74.1 -28.15 23.09 Favored 'Isoleucine or valine' 0 C--O 1.231 0.124 0 CA-C-O 120.93 0.395 . . . . 0.0 110.598 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -79.24 -32.26 43.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.263 179.344 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 37.3 ttt180 -70.19 -45.08 67.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.505 179.62 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.918 ' CB ' HG22 ' A' ' 24' ' ' ILE . 4.2 mt -65.9 -38.26 88.27 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.074 179.474 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.409 ' O ' HG13 ' B' ' 24' ' ' ILE . 9.4 tt0 -62.27 -34.35 76.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.591 179.63 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 13.6 ttmt -63.77 -50.41 69.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.488 179.555 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -56.86 -42.71 80.21 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.835 179.672 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.931 HG22 ' CB ' ' A' ' 20' ' ' LEU . 0.6 OUTLIER -64.18 -29.67 47.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.066 0.46 . . . . 0.0 109.81 179.7 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . 0.432 ' HA ' ' HG2' ' B' ' 28' ' ' LYS . 5.2 tt0 -61.57 -46.77 88.45 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.125 179.522 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 62.5 ttt180 -57.95 -45.99 85.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.101 0.477 . . . . 0.0 110.032 179.22 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . 0.814 ' O ' HG22 ' B' ' 31' ' ' ILE . 0.3 OUTLIER -66.55 -22.56 66.15 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.894 179.589 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.714 ' CB ' HD12 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -79.69 -26.27 41.0 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.804 0.335 . . . . 0.0 110.793 -179.962 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -73.77 -42.74 60.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.255 179.619 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.81 -47.74 71.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.866 179.667 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.814 HG22 ' O ' ' B' ' 27' ' ' HIS . 3.6 tp -69.82 -26.7 30.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.985 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . 0.437 ' HA ' ' CG ' ' B' ' 35' ' ' LYS . 21.0 ttmt -79.41 -21.28 45.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 179.674 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -81.68 -38.51 25.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.236 -179.768 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.48 ' CB ' ' CG2' ' A' ' 10' ' ' ILE . 21.7 mt -80.83 -27.17 36.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.814 0.34 . . . . 0.0 110.803 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . 0.437 ' CG ' ' HA ' ' B' ' 32' ' ' LYS . 0.0 OUTLIER -86.41 -25.58 25.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.691 179.622 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . 0.42 ' CB ' ' O ' ' B' ' 32' ' ' LYS . 0.3 OUTLIER -86.2 -26.11 25.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.667 179.731 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 8.1 t -85.19 -31.18 23.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.737 179.944 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.48 -25.32 25.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.843 179.823 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -97.67 -23.37 15.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.98 179.938 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 56.08 103.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.919 -179.96 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 26.7 t0 . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.193 -0.908 . . . . 0.0 110.934 179.957 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.829 0.347 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.0 tp -178.07 91.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.983 179.977 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? 60.28 118.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.95 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.419 ' O ' ' ND2' ' A' ' 8' ' ' ASN . 0.1 OUTLIER -110.62 19.09 19.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.33 179.965 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.407 ' ND1' ' N ' ' A' ' 5' ' ' HIS . 1.1 m-70 -92.26 -61.51 1.6 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.975 0.417 . . . . 0.0 110.476 179.67 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -59.38 -23.13 62.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.651 179.545 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.862 ' OE1' HD11 ' A' ' 10' ' ' ILE . 2.0 tp10 -72.02 -43.01 65.7 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.596 179.789 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.419 ' ND2' ' O ' ' A' ' 4' ' ' LYS . 45.7 m-20 -60.39 -45.19 94.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.33 179.588 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.73 -50.64 73.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.284 179.507 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.862 HD11 ' OE1' ' A' ' 7' ' ' GLU . 12.0 pt -69.4 -12.63 16.28 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 C-N-CA 120.654 -0.418 . . . . 0.0 110.506 178.92 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.3 -41.77 72.9 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 178.13 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.571 ' CD2' ' CE1' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -70.96 -39.45 72.55 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.016 179.127 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.639 ' HB2' HD13 ' B' ' 31' ' ' ILE . 3.4 m-70 -66.22 -27.21 67.79 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-O 120.751 0.31 . . . . 0.0 110.272 179.127 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.8 -49.01 64.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.085 179.793 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 47.8 mttm -67.46 -20.42 65.48 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.48 179.07 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.463 ' O ' HD23 ' A' ' 20' ' ' LEU . 6.9 mm-40 -77.09 -42.03 39.78 Favored 'General case' 0 C--N 1.334 -0.09 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.598 -179.752 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.861 HD13 ' O ' ' A' ' 17' ' ' ILE . 0.0 OUTLIER -77.93 -25.88 14.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.851 0.358 . . . . 0.0 110.604 179.883 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -80.07 -32.5 39.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.131 179.281 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.7 ttp85 -72.74 -47.49 46.47 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.299 179.453 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.888 ' HB3' HG22 ' B' ' 24' ' ' ILE . 2.9 mm? -65.05 -37.71 88.46 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.729 179.224 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.406 ' O ' HG13 ' A' ' 24' ' ' ILE . 1.0 OUTLIER -62.34 -35.12 78.11 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.328 179.453 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.6 ttpt -61.46 -51.02 70.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.392 179.602 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -56.86 -44.17 81.92 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.674 179.734 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.905 HG22 ' HB3' ' B' ' 20' ' ' LEU . 0.7 OUTLIER -62.66 -29.09 46.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.701 179.633 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -67.27 -36.21 81.11 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.301 179.689 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.48 -53.63 51.94 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.828 179.279 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.62 ' O ' HG22 ' A' ' 31' ' ' ILE . 0.2 OUTLIER -64.79 -23.49 67.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.049 178.875 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.489 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 23.4 ttmt -77.81 -24.71 48.67 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.97 179.805 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -75.5 -42.95 51.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.382 179.748 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 50.7 m -66.37 -43.89 84.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.875 179.764 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.62 HG22 ' O ' ' A' ' 27' ' ' HIS . 4.0 tp -70.18 -32.7 51.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.161 -179.9 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.41 ' O ' ' CG ' ' A' ' 36' ' ' GLN . 0.8 OUTLIER -76.66 -19.46 57.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.825 179.423 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.17 -41.08 25.99 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.263 -179.768 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.482 ' CB ' ' CG2' ' B' ' 10' ' ' ILE . 14.0 mt -80.41 -24.31 39.75 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.813 0.339 . . . . 0.0 110.708 179.983 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.4 ttmt -85.58 -26.4 26.15 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.556 179.588 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.41 ' CG ' ' O ' ' A' ' 32' ' ' LYS . 42.0 mt-30 -81.66 -33.34 31.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.704 179.689 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 58.7 m -74.98 -25.72 59.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.749 179.861 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -76.51 -27.24 55.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.865 179.918 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -130.72 27.21 4.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.992 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -59.0 150.34 24.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.931 -179.983 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.209 -0.9 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.803 0.335 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 5.1 tp -178.1 91.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? 60.24 118.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . 0.413 ' O ' ' ND2' ' B' ' 8' ' ' ASN . 0.1 OUTLIER -110.53 18.99 19.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.306 179.949 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -92.2 -61.49 1.6 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.007 0.432 . . . . 0.0 110.458 179.697 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -59.38 -23.26 62.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.64 179.547 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.872 ' OE1' HD11 ' B' ' 10' ' ' ILE . 2.1 tp10 -71.93 -43.04 65.91 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.586 179.878 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . 0.413 ' ND2' ' O ' ' B' ' 4' ' ' LYS . 45.8 m-20 -60.37 -45.38 93.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.329 179.552 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.6 -50.4 74.02 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.276 179.612 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.872 HD11 ' OE1' ' B' ' 7' ' ' GLU . 11.7 pt -69.17 -13.36 17.17 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.499 178.968 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.78 -41.7 74.79 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 178.216 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.575 ' CD2' ' CE1' ' B' ' 13' ' ' HIS . 0.0 OUTLIER -71.27 -39.3 71.63 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.961 179.1 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . 0.575 ' CE1' ' CD2' ' B' ' 12' ' ' HIS . 3.5 m-70 -66.3 -26.71 67.44 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-O 120.779 0.323 . . . . 0.0 110.284 179.034 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.6 -49.07 62.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.145 179.829 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 47.6 mttm -67.27 -20.69 65.68 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.454 179.001 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.466 ' CB ' ' CE1' ' A' ' 27' ' ' HIS . 7.0 mm-40 -76.64 -42.51 41.81 Favored 'General case' 0 CA--C 1.527 0.093 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.532 -179.883 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.845 HD13 ' O ' ' B' ' 17' ' ' ILE . 0.0 OUTLIER -77.4 -25.92 15.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.832 0.349 . . . . 0.0 110.647 179.913 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -80.0 -32.56 39.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.245 179.32 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 4.7 ttp85 -72.59 -47.37 48.47 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.311 179.458 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.905 ' HB3' HG22 ' A' ' 24' ' ' ILE . 2.9 mm? -65.34 -37.59 87.55 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.728 179.32 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.408 ' O ' HG13 ' B' ' 24' ' ' ILE . 1.0 OUTLIER -62.22 -35.32 78.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.296 179.392 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 14.6 ttpt -61.38 -51.12 70.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.423 179.635 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -56.72 -44.1 81.28 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.756 179.657 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.888 HG22 ' HB3' ' A' ' 20' ' ' LEU . 0.7 OUTLIER -62.56 -29.36 46.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.656 179.637 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -67.03 -36.29 81.75 Favored 'General case' 0 N--CA 1.456 -0.144 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.341 179.704 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.38 -53.44 54.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.906 179.3 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . 0.486 ' O ' HG22 ' B' ' 31' ' ' ILE . 0.2 OUTLIER -65.14 -22.99 67.0 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.142 178.79 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.481 ' HA ' ' CG2' ' B' ' 31' ' ' ILE . 22.9 ttmt -78.63 -23.91 45.58 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.969 179.838 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -76.23 -43.54 41.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.321 179.726 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 51.6 m -65.32 -44.81 86.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.734 179.538 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.639 HD13 ' HB2' ' A' ' 13' ' ' HIS . 5.1 tp -68.16 -35.41 71.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.284 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . 0.421 ' O ' ' CG ' ' B' ' 36' ' ' GLN . 0.8 OUTLIER -74.62 -19.15 60.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.698 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.47 -40.81 25.53 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.289 -179.758 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.49 ' CB ' ' CG2' ' A' ' 10' ' ' ILE . 14.1 mt -80.7 -23.93 39.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.783 0.325 . . . . 0.0 110.69 179.939 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 14.4 ttmt -85.96 -26.58 25.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.461 179.637 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . 0.421 ' CG ' ' O ' ' B' ' 32' ' ' LYS . 42.2 mt-30 -81.64 -33.43 31.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.591 179.756 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 58.7 m -74.9 -25.66 59.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.738 179.88 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -76.79 -27.12 55.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.895 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -130.72 27.19 4.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -59.06 150.42 24.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.973 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.422 ' O ' HD12 ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.761 0.315 . . . . 0.0 111.056 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.422 HD12 ' O ' ' A' ' 1' ' ' ALA . 0.3 OUTLIER -155.21 -79.06 0.09 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 180.0 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.459 ' CD ' ' CG ' ' B' ' 38' ' ' GLU . 0.0 OUTLIER 63.43 143.75 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.969 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.65 -49.25 3.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.427 ' HA ' ' ND2' ' A' ' 8' ' ' ASN . 2.5 p-80 -52.76 -45.27 67.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.608 179.89 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.587 ' CD2' HD23 ' B' ' 34' ' ' LEU . 0.1 OUTLIER -64.27 -51.93 61.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.663 179.782 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -56.33 -20.63 19.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.83 179.385 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.427 ' ND2' ' HA ' ' A' ' 5' ' ' HIS . 49.5 m-20 -73.2 -60.37 2.27 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.421 179.725 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.449 ' O ' ' CD2' ' A' ' 13' ' ' HIS . 33.2 mt-10 -71.6 -8.57 54.88 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.73 179.066 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.593 ' O ' ' HB2' ' A' ' 14' ' ' ALA . 66.7 mt -91.72 -29.93 4.7 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.937 179.845 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.27 -29.59 48.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.644 179.06 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.519 ' CD2' ' ND1' ' A' ' 13' ' ' HIS . 0.8 OUTLIER -78.17 -51.98 9.41 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.409 179.06 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.669 ' O ' HG23 ' A' ' 17' ' ' ILE . 18.2 m-70 -63.78 -28.04 69.6 Favored 'General case' 0 CA--C 1.52 -0.177 0 C-N-CA 120.528 -0.469 . . . . 0.0 109.863 178.777 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.593 ' HB2' ' O ' ' A' ' 10' ' ' ILE . . . -65.31 -50.18 66.67 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.451 179.735 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.4 mtpm? -58.14 -32.06 67.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.062 179.344 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.488 ' HB3' ' CE1' ' B' ' 27' ' ' HIS . 0.0 OUTLIER -65.25 -51.28 61.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.946 179.794 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.809 HG22 ' HB3' ' B' ' 27' ' ' HIS . 0.9 OUTLIER -62.35 -22.44 29.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.902 -179.98 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -76.16 -37.29 58.12 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.428 179.818 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -65.31 -51.38 60.99 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.199 179.444 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.611 ' CB ' HG22 ' B' ' 24' ' ' ILE . 4.5 mt -59.93 -43.62 94.81 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 179.192 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.448 ' NE2' ' NE2' ' B' ' 21' ' ' GLN . 0.4 OUTLIER -60.27 -29.31 68.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.354 179.476 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.0 ttpt -62.86 -48.22 79.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.991 179.481 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -59.27 -49.33 78.27 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.66 179.508 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.606 HG22 ' CB ' ' B' ' 20' ' ' LEU . 0.6 OUTLIER -60.37 -26.87 38.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.93 179.68 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -68.98 -35.58 76.88 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.02 179.532 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 11.4 ttt180 -62.01 -48.52 79.93 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.84 179.069 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.831 ' HB3' HG22 ' B' ' 17' ' ' ILE . 0.2 OUTLIER -66.05 -28.61 68.97 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.66 178.852 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.556 ' HA ' HG22 ' A' ' 31' ' ' ILE . 2.0 ttmt -76.65 -19.6 57.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.826 179.621 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.439 ' HA ' ' CD ' ' A' ' 32' ' ' LYS . 9.5 tt0 -78.19 -41.9 33.14 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.855 0.36 . . . . 0.0 110.495 179.845 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.64 -40.27 73.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.849 179.838 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.556 HG22 ' HA ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -74.13 -33.37 35.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.316 -179.769 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.439 ' CD ' ' HA ' ' A' ' 29' ' ' GLN . 12.0 pttt -78.17 -24.48 47.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.748 0.309 . . . . 0.0 110.316 179.449 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.7 mtpt -73.64 -40.66 63.58 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.376 179.494 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.58 HD23 ' CD2' ' B' ' 6' ' ' HIS . 1.0 OUTLIER -68.47 -45.38 72.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.684 179.703 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.9 ttmt -70.87 -25.95 63.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.619 179.697 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -72.61 -32.17 65.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.571 179.707 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 13.1 m -64.21 -26.48 68.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.745 179.78 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.457 ' CG ' ' CD ' ' B' ' 3' ' ' LYS . 0.6 OUTLIER -83.48 -25.57 31.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.893 179.889 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.415 ' O ' ' N ' ' A' ' 41' ' ' ASP . 29.5 t70 -83.02 -23.6 33.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.031 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -48.99 92.41 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.001 179.975 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 39' ' ' ASP . 3.9 p30 . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.938 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . 0.421 ' O ' HD12 ' B' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.859 0.361 . . . . 0.0 111.061 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . 0.421 HD12 ' O ' ' B' ' 1' ' ' ALA . 0.3 OUTLIER -155.3 -79.28 0.09 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 179.952 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . 0.457 ' CD ' ' CG ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER 63.75 144.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.932 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.93 -49.3 2.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.842 -179.952 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . 0.418 ' HA ' ' ND2' ' B' ' 8' ' ' ASN . 2.5 p-80 -52.67 -45.33 66.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.592 179.844 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . 0.58 ' CD2' HD23 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -64.42 -51.91 60.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.586 179.86 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -56.21 -20.65 19.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.785 179.376 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . 0.418 ' ND2' ' HA ' ' B' ' 5' ' ' HIS . 47.9 m-20 -73.2 -60.7 2.12 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 120.806 0.336 . . . . 0.0 110.506 179.727 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.468 ' O ' ' CD2' ' B' ' 13' ' ' HIS . 32.3 mt-10 -71.27 -8.78 55.95 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.793 179.001 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.577 ' O ' ' HB2' ' B' ' 14' ' ' ALA . 67.6 mt -91.5 -30.21 4.76 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.006 179.904 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.22 -29.29 48.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.756 179.017 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.526 ' CD2' ' ND1' ' B' ' 13' ' ' HIS . 0.7 OUTLIER -78.31 -51.76 9.64 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.424 179.064 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . 0.654 ' O ' HG23 ' B' ' 17' ' ' ILE . 19.0 m-70 -63.89 -28.38 69.8 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 178.841 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.577 ' HB2' ' O ' ' B' ' 10' ' ' ILE . . . -65.1 -50.35 66.43 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.425 179.746 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 3.3 mtpm? -57.63 -32.37 67.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.08 179.369 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.454 ' HB3' ' CE1' ' A' ' 27' ' ' HIS . 0.1 OUTLIER -64.87 -51.77 60.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.982 179.716 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.831 HG22 ' HB3' ' A' ' 27' ' ' HIS . 0.9 OUTLIER -61.84 -22.4 28.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.907 -179.962 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -76.03 -37.41 58.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.468 179.835 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -65.43 -51.53 59.62 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.143 179.437 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.606 ' CB ' HG22 ' A' ' 24' ' ' ILE . 4.4 mt -59.91 -43.12 95.07 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.681 179.184 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.448 ' NE2' ' NE2' ' A' ' 21' ' ' GLN . 0.4 OUTLIER -60.93 -28.98 69.34 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.36 179.413 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 5.0 ttpt -63.1 -47.98 80.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.973 179.435 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -59.47 -49.06 79.25 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.734 179.554 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.611 HG22 ' CB ' ' A' ' 20' ' ' LEU . 0.6 OUTLIER -60.75 -26.83 39.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.854 179.618 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -68.82 -35.68 77.28 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.024 179.507 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 11.3 ttt180 -62.05 -48.39 80.46 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.683 179.074 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . 0.809 ' HB3' HG22 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -66.26 -27.94 68.33 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.838 178.864 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.557 ' HA ' HG22 ' B' ' 31' ' ' ILE . 1.9 ttmt -77.64 -19.3 55.67 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.774 179.456 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . 0.43 ' HA ' ' CD ' ' B' ' 32' ' ' LYS . 9.6 tt0 -78.39 -41.79 32.16 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.545 179.768 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.63 -40.6 73.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.874 179.729 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.557 HG22 ' HA ' ' B' ' 28' ' ' LYS . 0.0 OUTLIER -73.74 -33.52 38.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.413 -179.838 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . 0.43 ' CD ' ' HA ' ' B' ' 29' ' ' GLN . 11.9 pttt -78.02 -24.47 47.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.807 0.337 . . . . 0.0 110.374 179.455 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 9.7 mtpt -73.68 -40.58 63.56 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.281 179.608 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.587 HD23 ' CD2' ' A' ' 6' ' ' HIS . 0.9 OUTLIER -68.55 -45.6 71.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.656 179.728 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 9.8 ttmt -70.68 -25.94 63.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.674 179.673 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -72.56 -32.37 66.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.602 179.674 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 13.8 m -63.92 -26.52 68.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.685 179.749 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . 0.459 ' CG ' ' CD ' ' A' ' 3' ' ' LYS . 0.6 OUTLIER -83.51 -25.52 30.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 179.91 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . 0.409 ' O ' ' N ' ' B' ' 41' ' ' ASP . 29.6 t70 -83.12 -23.51 33.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.057 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -49.09 92.47 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.968 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' B' ' 39' ' ' ASP . 3.9 p30 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.958 179.967 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.825 0.345 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 174.36 93.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.433 ' CE ' ' HA ' ' B' ' 38' ' ' GLU . 0.1 OUTLIER -89.61 158.42 17.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.951 179.957 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.6 mmtt -104.78 -53.0 2.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.953 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -51.02 -39.6 56.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.709 179.909 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.578 ' C ' HD12 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -61.92 -54.29 43.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.548 179.792 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.4 ' HA ' ' HB ' ' A' ' 10' ' ' ILE . 0.3 OUTLIER -53.64 -22.95 9.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.775 179.493 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -70.89 -60.29 2.32 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.543 179.821 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.468 ' HB2' HD13 ' B' ' 34' ' ' LEU . 3.7 mp0 -71.1 -8.2 51.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.813 178.847 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.578 HD12 ' C ' ' A' ' 6' ' ' HIS . 64.7 mt -91.01 -29.1 4.78 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.025 179.923 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.0 p -80.66 -29.17 36.66 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.736 179.03 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.528 ' CD2' ' ND1' ' A' ' 13' ' ' HIS . 0.7 OUTLIER -78.97 -48.45 14.46 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.796 179.345 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.935 ' O ' HG23 ' A' ' 17' ' ' ILE . 14.8 m-70 -66.81 -27.11 67.29 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.085 179.029 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.474 ' HB2' ' O ' ' A' ' 10' ' ' ILE . . . -67.79 -49.65 61.19 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.351 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.0 mmtp -65.98 -22.44 66.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.177 179.075 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.519 ' CB ' ' CE1' ' B' ' 27' ' ' HIS . 3.6 mm-40 -76.08 -38.94 56.4 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.179 179.915 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.935 HG23 ' O ' ' A' ' 13' ' ' HIS . 0.9 OUTLIER -72.74 -36.89 54.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-O 120.879 0.371 . . . . 0.0 110.933 -179.858 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -75.56 -26.71 58.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.388 179.527 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.6 ttt-85 -72.57 -45.74 57.74 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.704 179.776 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.795 ' CB ' HG22 ' B' ' 24' ' ' ILE . 1.2 mt -66.0 -37.48 86.03 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.903 0.383 . . . . 0.0 110.245 179.713 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.413 ' O ' HG13 ' A' ' 24' ' ' ILE . 7.6 tt0 -62.86 -38.5 91.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.426 179.557 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.5 ttpt -59.92 -48.92 79.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.351 179.545 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.698 ' OE1' HD22 ' B' ' 20' ' ' LEU . 0.2 OUTLIER -54.63 -44.86 73.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.668 179.744 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.804 HG22 ' CB ' ' B' ' 20' ' ' LEU . 0.7 OUTLIER -61.53 -32.49 53.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 179.621 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.421 ' O ' ' CG ' ' A' ' 28' ' ' LYS . 1.2 tt0 -59.33 -44.7 92.59 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.139 179.46 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.1 ttp85 -60.84 -37.92 83.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.137 0.494 . . . . 0.0 109.99 179.234 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.927 ' HB3' HG22 ' B' ' 17' ' ' ILE . 0.2 OUTLIER -70.9 -23.38 62.27 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.594 179.623 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.477 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 0.0 OUTLIER -78.24 -27.75 47.68 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.946 0.403 . . . . 0.0 110.539 179.805 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.405 ' N ' ' HG3' ' A' ' 28' ' ' LYS . 16.7 tt0 -72.69 -43.68 62.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.254 179.479 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 86.7 p -66.37 -47.7 72.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.748 179.683 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.739 HG22 ' O ' ' A' ' 27' ' ' HIS . 5.9 tp -69.8 -24.62 26.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.092 179.884 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.413 ' CB ' ' O ' ' A' ' 28' ' ' LYS . 6.8 ttmt -78.94 -25.62 43.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.757 179.769 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.6 mtmt -77.01 -43.15 35.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.535 179.711 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.514 HD23 ' CE1' ' B' ' 6' ' ' HIS . 1.6 mt -69.84 -35.11 74.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.692 179.782 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.7 mttm -73.99 -36.16 64.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.655 179.795 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -69.85 -28.47 65.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.692 179.922 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.7 m -69.51 -26.08 64.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 179.885 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.433 ' HA ' ' CE ' ' B' ' 3' ' ' LYS . 2.3 tt0 -83.94 -25.7 29.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 179.961 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.12 -23.71 26.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.031 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.82 100.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.992 -179.926 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.897 -179.979 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.855 0.36 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 174.45 94.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . 0.433 ' CE ' ' HA ' ' A' ' 38' ' ' GLU . 0.1 OUTLIER -89.61 158.34 17.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.946 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 3.6 mmtt -104.76 -53.07 2.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.939 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -50.89 -39.68 54.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.754 179.852 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . 0.583 ' C ' HD12 ' B' ' 10' ' ' ILE . 0.0 OUTLIER -61.95 -54.23 44.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.532 179.868 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.67 -22.96 9.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.762 179.494 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -70.82 -60.34 2.3 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.56 179.779 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.47 ' O ' ' CD2' ' B' ' 13' ' ' HIS . 3.6 mp0 -71.14 -8.13 51.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.791 178.887 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.583 HD12 ' C ' ' B' ' 6' ' ' HIS . 64.7 mt -90.98 -29.18 4.79 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 CA-C-O 121.063 0.458 . . . . 0.0 110.016 179.912 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 12.1 p -80.59 -29.16 36.93 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.771 179.053 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.528 ' CD2' ' ND1' ' B' ' 13' ' ' HIS . 0.7 OUTLIER -79.0 -48.48 14.37 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.806 179.343 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . 0.928 ' O ' HG23 ' B' ' 17' ' ' ILE . 14.8 m-70 -66.74 -27.2 67.42 Favored 'General case' 0 CA--C 1.521 -0.169 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.027 179.008 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.468 ' HB2' ' O ' ' B' ' 10' ' ' ILE . . . -67.72 -49.66 61.46 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.422 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 3.0 mmtp -65.97 -22.42 66.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.249 178.981 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.516 ' CB ' ' CE1' ' A' ' 27' ' ' HIS . 3.6 mm-40 -76.05 -39.07 56.34 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.154 179.9 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.928 HG23 ' O ' ' B' ' 13' ' ' HIS . 0.9 OUTLIER -72.57 -37.05 55.62 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 CA-C-O 120.851 0.357 . . . . 0.0 110.925 -179.845 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -75.45 -26.76 58.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.414 179.555 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 10.6 ttt-85 -72.61 -45.7 57.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.688 179.777 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.804 ' CB ' HG22 ' A' ' 24' ' ' ILE . 1.2 mt -65.93 -37.59 86.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.967 0.413 . . . . 0.0 110.26 179.667 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.413 ' O ' HG13 ' B' ' 24' ' ' ILE . 7.6 tt0 -62.82 -38.43 90.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.421 179.596 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 2.5 ttpt -60.02 -48.85 80.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.364 179.588 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . 0.694 ' OE1' HD22 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -54.66 -44.82 73.62 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.669 179.648 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.795 HG22 ' CB ' ' A' ' 20' ' ' LEU . 0.7 OUTLIER -61.6 -32.45 53.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 179.658 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . 0.427 ' O ' ' CG ' ' B' ' 28' ' ' LYS . 1.2 tt0 -59.35 -44.7 92.62 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.163 179.439 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 13.1 ttp85 -60.89 -37.94 83.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.956 179.234 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . 0.896 ' HB3' HG22 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -70.82 -23.4 62.35 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.622 179.576 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.472 ' HA ' ' CG2' ' B' ' 31' ' ' ILE . 0.0 OUTLIER -78.24 -27.74 47.68 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.916 0.388 . . . . 0.0 110.543 179.805 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -72.68 -43.75 62.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.233 179.478 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 86.5 p -66.36 -47.58 72.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.783 179.673 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.742 HG22 ' O ' ' B' ' 27' ' ' HIS . 5.9 tp -69.89 -24.61 26.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.032 179.883 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . 0.406 ' CB ' ' O ' ' B' ' 28' ' ' LYS . 6.8 ttmt -78.91 -25.65 43.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.716 179.763 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 3.6 mtmt -76.96 -43.17 36.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.565 179.753 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.514 HD23 ' CE1' ' A' ' 6' ' ' HIS . 1.6 mt -69.84 -35.08 74.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.729 179.754 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 12.7 mttm -73.97 -36.18 64.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.715 179.737 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -69.8 -28.53 65.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.723 179.897 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 19.9 m -69.52 -26.0 64.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 179.879 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . 0.433 ' HA ' ' CE ' ' A' ' 3' ' ' LYS . 2.3 tt0 -83.96 -25.73 29.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 179.966 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.2 -23.64 26.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.992 -179.923 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.87 100.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.999 -179.942 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.309 -0.853 . . . . 0.0 110.863 -179.987 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.782 0.325 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 mp -145.15 -49.42 0.24 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.9 mptt -102.31 171.45 7.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.986 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.34 -51.48 1.97 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.565 ' CE1' ' CE1' ' A' ' 6' ' ' HIS . 0.3 OUTLIER -50.25 -32.81 17.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.812 179.934 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.565 ' CE1' ' CE1' ' A' ' 5' ' ' HIS . 1.4 m-70 -62.71 -57.28 11.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.322 179.769 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.407 ' HA ' ' HB ' ' A' ' 10' ' ' ILE . 6.0 mt-10 -50.79 -24.76 3.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.752 179.344 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.424 ' ND2' ' HA ' ' A' ' 5' ' ' HIS . 2.2 m-20 -68.31 -60.6 2.34 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.595 179.718 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.468 ' O ' ' CD2' ' A' ' 13' ' ' HIS . 1.3 mp0 -69.38 -9.85 55.32 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.827 178.976 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.719 HD11 HD12 ' B' ' 34' ' ' LEU . 76.1 mt -88.96 -28.58 5.23 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.162 179.918 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.83 -30.08 35.82 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.916 179.282 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.527 ' CD2' ' ND1' ' A' ' 13' ' ' HIS . 0.6 OUTLIER -78.53 -46.15 20.19 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.934 179.489 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.917 ' O ' HG23 ' A' ' 17' ' ' ILE . 17.0 m-70 -70.28 -25.52 63.38 Favored 'General case' 0 C--O 1.226 -0.151 0 C-N-CA 120.678 -0.409 . . . . 0.0 110.196 179.018 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.495 ' HB2' ' O ' ' A' ' 10' ' ' ILE . . . -70.75 -44.77 66.08 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.604 -179.883 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 42.0 tttt -68.34 -28.27 67.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.079 0.466 . . . . 0.0 109.941 179.159 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.518 ' CB ' ' CE1' ' B' ' 27' ' ' HIS . 0.1 OUTLIER -69.21 -45.88 68.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.962 179.717 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.963 HG22 ' HB3' ' B' ' 27' ' ' HIS . 0.6 OUTLIER -65.49 -40.81 89.37 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 CA-C-O 120.983 0.42 . . . . 0.0 110.448 -179.957 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -66.21 -25.77 67.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.593 179.472 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.88 -48.52 58.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.118 -179.881 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.744 HD13 HD13 ' B' ' 20' ' ' LEU . 3.3 mm? -71.14 -25.43 62.57 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.805 0.336 . . . . 0.0 110.735 -179.929 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.466 ' HA ' HG22 ' A' ' 24' ' ' ILE . 6.2 tt0 -77.49 -30.53 53.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.463 179.539 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.45 -42.22 71.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.257 179.493 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.458 ' HB3' HD12 ' B' ' 20' ' ' LEU . 0.4 OUTLIER -64.21 -46.99 81.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.639 179.6 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.874 ' O ' HD13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -63.71 -27.83 43.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.227 179.527 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -63.75 -47.82 79.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.546 179.563 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -63.64 -40.82 97.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.478 179.656 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.936 ' HB3' HG22 ' B' ' 17' ' ' ILE . 0.2 OUTLIER -71.23 -19.66 62.34 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.62 179.399 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.462 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 13.6 ttmm -77.6 -33.52 53.79 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.42 179.655 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -71.81 -39.41 69.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.453 179.612 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.5 p -70.19 -43.73 70.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.049 179.79 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.801 HG22 ' O ' ' A' ' 27' ' ' HIS . 5.2 tp -72.14 -24.53 22.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.047 179.933 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.32 -34.91 48.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.561 179.629 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.7 ttmt -72.57 -32.87 66.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.417 179.581 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.736 HD12 HD11 ' B' ' 10' ' ' ILE . 0.1 OUTLIER -70.54 -43.88 68.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.686 179.636 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 21.8 ttmt -72.31 -26.41 61.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.741 179.867 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -76.63 -28.64 56.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.758 179.856 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.44 -26.07 62.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.841 179.878 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.68 -26.08 54.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.963 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -124.35 26.93 7.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 63.47 172.42 0.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.973 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 33.3 p-10 . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.904 179.988 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.839 0.352 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 mp -145.1 -49.39 0.24 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.923 179.896 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 5.9 mptt -102.34 171.37 7.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 179.976 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.32 -51.43 1.97 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . 0.573 ' CE1' ' CE1' ' B' ' 6' ' ' HIS . 0.3 OUTLIER -50.18 -32.89 17.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.784 179.909 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . 0.573 ' CE1' ' CE1' ' B' ' 5' ' ' HIS . 1.4 m-70 -62.6 -57.28 11.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.39 179.756 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.409 ' HA ' ' HB ' ' B' ' 10' ' ' ILE . 6.2 mt-10 -50.76 -24.86 3.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.752 179.316 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . 0.428 ' ND2' ' HA ' ' B' ' 5' ' ' HIS . 2.2 m-20 -68.3 -60.51 2.4 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.576 179.792 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.469 ' O ' ' CD2' ' B' ' 13' ' ' HIS . 1.3 mp0 -69.38 -9.8 55.11 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.777 178.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.736 HD11 HD12 ' A' ' 34' ' ' LEU . 76.7 mt -88.9 -28.68 5.23 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 CA-C-O 121.016 0.436 . . . . 0.0 110.15 179.955 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.83 -30.04 35.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.945 179.298 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.527 ' CD2' ' ND1' ' B' ' 13' ' ' HIS . 0.6 OUTLIER -78.61 -46.03 20.24 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.898 179.55 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . 0.934 ' O ' HG23 ' B' ' 17' ' ' ILE . 17.0 m-70 -70.25 -25.6 63.44 Favored 'General case' 0 C--O 1.225 -0.208 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.26 178.942 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.487 ' HB2' ' O ' ' B' ' 10' ' ' ILE . . . -70.88 -44.54 66.1 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.616 -179.822 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 41.7 tttt -68.49 -28.2 66.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.024 0.44 . . . . 0.0 109.961 179.161 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.526 ' CB ' ' CE1' ' A' ' 27' ' ' HIS . 0.1 OUTLIER -69.23 -46.05 68.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.949 179.717 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.936 HG22 ' HB3' ' A' ' 27' ' ' HIS . 0.6 OUTLIER -65.34 -40.79 89.59 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.175 0 CA-C-O 121.001 0.429 . . . . 0.0 110.427 -179.978 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -66.32 -25.72 66.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.617 179.476 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.84 -48.42 58.99 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.16 -179.998 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.744 HD13 HD13 ' A' ' 20' ' ' LEU . 3.2 mm? -71.21 -25.42 62.5 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.841 0.353 . . . . 0.0 110.747 -179.92 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.471 ' HA ' HG22 ' B' ' 24' ' ' ILE . 6.3 tt0 -77.49 -30.62 53.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.45 179.516 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.42 -42.28 71.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.207 179.485 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . 0.452 ' HB3' HD12 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -64.23 -46.99 81.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.592 179.664 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.852 HD13 ' O ' ' B' ' 24' ' ' ILE . 0.0 OUTLIER -63.7 -27.71 43.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.861 0.362 . . . . 0.0 110.309 179.474 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -63.9 -47.73 79.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.472 179.553 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -63.64 -40.83 97.85 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.513 179.642 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . 0.963 ' HB3' HG22 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -71.16 -19.82 62.37 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.574 179.378 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.458 ' HA ' ' CG2' ' B' ' 31' ' ' ILE . 13.6 ttmm -77.37 -33.55 55.23 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.498 179.682 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -71.8 -39.43 69.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.474 179.616 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 10.7 p -70.3 -43.46 70.32 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.006 179.843 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.817 HG22 ' O ' ' B' ' 27' ' ' HIS . 5.2 tp -72.38 -24.54 22.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.05 179.977 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.37 -34.96 47.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.543 179.604 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 26.8 ttmt -72.55 -32.94 66.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.391 179.57 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.719 HD12 HD11 ' A' ' 10' ' ' ILE . 0.1 OUTLIER -70.55 -43.85 68.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.654 179.699 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 21.9 ttmt -72.34 -26.37 61.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.751 179.866 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -76.75 -28.49 55.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.705 179.884 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.58 -26.04 62.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.825 179.938 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.7 -26.01 54.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 179.947 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -124.36 26.94 7.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.952 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 63.44 172.42 0.16 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.978 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 33.3 p-10 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.933 179.968 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.413 0 CA-C-O 120.811 0.338 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.3 tp -113.29 124.63 52.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.52 112.93 24.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.962 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -111.39 -49.82 2.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 6.9 p-80 -59.07 -28.68 66.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.963 -179.999 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.76 -43.03 73.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.918 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.402 ' O ' HG12 ' A' ' 10' ' ' ILE . 4.6 mm-40 -66.01 -30.57 71.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.77 179.996 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 35.9 t30 -69.26 -45.96 68.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.281 179.622 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.47 -44.7 92.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.637 179.626 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.501 ' HA ' ' CD2' ' A' ' 13' ' ' HIS . 17.4 pt -70.22 -21.84 23.79 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.51 179.38 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.8 t -65.81 -40.38 91.83 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 178.568 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -72.23 -33.42 67.54 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.874 179.203 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.941 ' O ' HG23 ' A' ' 17' ' ' ILE . 9.3 m-70 -66.75 -31.97 72.97 Favored 'General case' 0 C--O 1.225 -0.202 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.806 179.644 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.27 -53.14 21.3 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 179.954 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.401 ' O ' ' CG ' ' A' ' 19' ' ' ARG . 2.7 mmtt -65.74 -15.23 62.64 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.296 178.724 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.499 ' HG2' ' CE1' ' B' ' 27' ' ' HIS . 16.7 tp10 -82.87 -37.75 23.88 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.942 179.792 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.941 HG23 ' O ' ' A' ' 13' ' ' HIS . 1.0 OUTLIER -73.28 -37.62 52.22 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 CA-C-O 120.892 0.377 . . . . 0.0 110.706 179.814 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -75.05 -36.05 61.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.569 179.655 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.407 ' O ' ' CG ' ' A' ' 22' ' ' LYS . 1.1 mmm-85 -71.24 -32.98 69.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.716 179.835 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.891 ' HB3' HG22 ' B' ' 24' ' ' ILE . 17.9 mt -70.18 -39.02 75.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.211 179.579 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.403 ' O ' HG13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -62.29 -45.23 94.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.939 179.846 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.407 ' CG ' ' O ' ' A' ' 19' ' ' ARG . 1.8 ptmt -63.82 -34.2 77.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.848 0.356 . . . . 0.0 110.737 179.945 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -67.27 -37.9 84.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.111 179.896 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.876 HG22 ' HB3' ' B' ' 20' ' ' LEU . 0.5 OUTLIER -64.62 -40.5 89.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.11 0.481 . . . . 0.0 110.212 179.848 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.413 ' N ' HG13 ' A' ' 24' ' ' ILE . 7.9 tt0 -61.12 -41.5 96.82 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.52 179.627 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.4 ttt85 -57.49 -44.14 84.72 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.978 179.374 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.925 ' HB3' HG22 ' B' ' 17' ' ' ILE . 0.2 OUTLIER -69.13 -24.73 64.13 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.922 178.985 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.473 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 17.2 ttmt -73.09 -26.89 61.42 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.822 179.826 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -77.04 -42.5 38.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.456 179.694 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.06 -40.64 87.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.01 179.886 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.76 HG22 ' O ' ' A' ' 27' ' ' HIS . 3.9 tp -71.34 -35.67 58.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 -179.924 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.442 ' HA ' ' CG ' ' A' ' 35' ' ' LYS . 6.5 ttpp -74.71 -20.63 59.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.975 179.751 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.7 tttp -81.53 -38.34 26.38 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.504 -179.591 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.488 HD13 HG22 ' B' ' 10' ' ' ILE . 9.8 mt -80.57 -24.38 39.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.814 0.34 . . . . 0.0 110.775 -179.974 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.442 ' CG ' ' HA ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -84.9 -30.23 24.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.571 179.641 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.421 ' HG2' ' HD2' ' A' ' 35' ' ' LYS . 1.9 mt-30 -79.99 -31.47 39.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.678 179.691 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.3 t -76.01 -26.49 56.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.738 179.906 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -74.18 -26.73 60.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.876 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -77.92 -25.42 48.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 179.902 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 67.51 161.52 0.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 179.919 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.938 -179.991 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.866 0.365 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 3.3 tp -113.32 124.55 52.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 -179.992 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.48 113.06 24.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 -179.953 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -111.45 -49.79 2.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 179.986 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 6.8 p-80 -59.04 -28.79 66.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 179.981 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.76 -42.95 73.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.914 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.409 ' O ' HG12 ' B' ' 10' ' ' ILE . 4.6 mm-40 -66.1 -30.51 71.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.781 -180.0 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 35.6 t30 -69.19 -46.09 68.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.359 179.537 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.45 -44.79 92.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.519 179.676 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.503 ' HA ' ' CD2' ' B' ' 13' ' ' HIS . 17.4 pt -70.16 -21.84 23.89 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 C-N-CA 120.804 -0.359 . . . . 0.0 110.563 179.417 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 2.8 t -65.78 -40.44 92.0 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 178.597 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -72.18 -33.51 67.73 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.875 179.235 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . 0.94 ' O ' HG23 ' B' ' 17' ' ' ILE . 9.3 m-70 -66.65 -31.94 72.95 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.847 179.653 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.35 -53.09 21.28 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 179.962 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt -65.66 -15.42 62.76 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.319 178.686 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.5 ' HG2' ' CE1' ' A' ' 27' ' ' HIS . 16.7 tp10 -82.61 -37.89 24.36 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.957 179.776 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.94 HG23 ' O ' ' B' ' 13' ' ' HIS . 1.0 OUTLIER -73.36 -37.4 51.24 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 CA-C-O 120.931 0.396 . . . . 0.0 110.789 179.883 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -75.22 -35.56 61.46 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.604 179.603 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . 0.412 ' O ' ' CG ' ' B' ' 22' ' ' LYS . 1.1 mmm-85 -71.6 -33.15 68.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.686 179.844 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.876 ' HB3' HG22 ' A' ' 24' ' ' ILE . 17.1 mt -70.38 -38.57 74.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.123 179.496 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.406 ' O ' HG13 ' B' ' 24' ' ' ILE . 0.2 OUTLIER -61.43 -46.29 90.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.78 179.669 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . 0.412 ' CG ' ' O ' ' B' ' 19' ' ' ARG . 1.8 ptmt -63.93 -34.18 77.4 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 180.0 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -67.15 -37.63 84.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.079 179.991 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.891 HG22 ' HB3' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -65.0 -40.56 89.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.959 0.409 . . . . 0.0 110.074 179.899 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . 0.414 ' N ' HG13 ' B' ' 24' ' ' ILE . 7.9 tt0 -60.97 -41.55 96.61 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.541 179.661 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 1.4 ttt85 -57.58 -44.19 85.13 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.046 179.395 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . 0.88 ' HB3' HG22 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -69.07 -24.68 64.19 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.86 178.976 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.491 ' HA ' ' CG2' ' B' ' 31' ' ' ILE . 17.3 ttmt -73.13 -26.9 61.4 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.828 179.867 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -77.0 -42.55 38.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.461 179.689 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.05 -40.5 87.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.046 179.877 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.775 HG22 ' O ' ' B' ' 27' ' ' HIS . 3.8 tp -71.33 -35.8 58.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . 0.435 ' HA ' ' CG ' ' B' ' 35' ' ' LYS . 6.5 ttpp -74.59 -20.67 59.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.073 179.763 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 14.7 tttp -81.47 -38.45 26.34 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.488 -179.602 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.472 HD13 HG22 ' A' ' 10' ' ' ILE . 9.8 mt -80.65 -24.21 39.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.771 0.32 . . . . 0.0 110.804 -179.949 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . 0.435 ' CG ' ' HA ' ' B' ' 32' ' ' LYS . 0.0 OUTLIER -84.95 -30.25 24.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.554 179.578 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . 0.418 ' HG2' ' HD2' ' B' ' 35' ' ' LYS . 1.9 mt-30 -80.04 -31.44 39.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.64 179.745 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 2.3 t -76.02 -26.49 56.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.732 179.898 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -74.2 -26.76 60.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.816 179.961 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -77.83 -25.47 48.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.919 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 67.42 161.51 0.17 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.957 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.91 -179.97 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.765 0.317 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -136.09 25.75 3.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.96 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.65 142.68 33.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 -179.992 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -98.33 -68.4 0.8 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.928 179.961 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -51.26 -40.73 59.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.955 0.407 . . . . 0.0 110.677 179.818 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 1.061 ' CD2' HD11 ' B' ' 34' ' ' LEU . 0.4 OUTLIER -61.94 -39.47 92.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.781 179.752 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.428 ' HG3' HD11 ' A' ' 10' ' ' ILE . 0.8 OUTLIER -67.3 -29.35 68.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.568 179.829 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -65.02 -47.27 78.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.033 179.458 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.46 -54.62 44.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.392 179.507 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.79 HG21 ' HB3' ' B' ' 34' ' ' LEU . 18.6 pt -60.75 -24.11 31.19 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.407 179.329 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.27 -45.99 91.38 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 178.817 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.575 ' CD2' ' CE1' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -66.28 -33.88 76.75 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.663 179.073 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.587 ' O ' HG22 ' A' ' 17' ' ' ILE . 10.2 m-70 -73.55 -18.13 61.11 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.121 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.54 -40.18 30.15 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-O 120.909 0.385 . . . . 0.0 110.662 -179.777 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.71 -25.08 49.1 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.423 179.249 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.29 -38.03 31.58 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.835 179.699 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.846 HD13 ' O ' ' A' ' 17' ' ' ILE . 0.0 OUTLIER -76.03 -34.74 27.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.718 179.719 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -78.46 -27.79 46.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.882 0.372 . . . . 0.0 110.826 179.79 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.2 ttt85 -80.31 -34.64 36.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.35 -179.77 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.555 ' O ' HG22 ' A' ' 24' ' ' ILE . 89.5 mt -79.73 -26.41 40.79 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 179.995 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.433 ' HB2' HG13 ' B' ' 24' ' ' ILE . 0.6 OUTLIER -75.0 -39.01 61.44 Favored 'General case' 0 C--N 1.333 -0.136 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 178.575 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.9 ttpt -61.94 -46.9 87.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.163 179.257 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.95 -51.57 69.48 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.506 179.57 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.705 ' O ' HD13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -64.84 -19.0 24.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.927 179.516 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -71.17 -39.41 71.91 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.079 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.3 mtp180 -66.08 -49.2 68.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.221 179.259 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.835 ' O ' HG22 ' A' ' 31' ' ' ILE . 3.2 m-70 -66.43 -23.89 66.37 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.319 179.256 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.464 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 0.7 OUTLIER -78.22 -24.82 46.86 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.045 179.975 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -78.4 -38.18 42.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.481 179.725 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.22 -42.91 62.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.71 179.721 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.835 HG22 ' O ' ' A' ' 27' ' ' HIS . 4.3 tp -73.23 -30.9 32.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.942 179.938 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.423 ' CB ' ' O ' ' A' ' 28' ' ' LYS . 3.5 ttpm? -79.56 -23.43 42.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.5 179.274 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.1 ttmt -75.69 -40.0 56.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.001 179.92 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 1.065 HD11 ' CD2' ' B' ' 6' ' ' HIS . 0.1 OUTLIER -77.97 -30.68 50.42 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.922 0.392 . . . . 0.0 110.397 179.722 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.7 ttmt -76.82 -29.43 55.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.66 179.748 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.419 ' O ' ' CA ' ' A' ' 40' ' ' ASP . 73.3 mt-30 -85.22 -28.45 25.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.613 179.786 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 21.7 m -83.96 -25.06 30.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.671 179.665 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -81.35 -25.53 36.28 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.73 179.916 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -140.84 36.71 1.78 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.978 -179.971 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.419 ' CA ' ' O ' ' A' ' 36' ' ' GLN . 1.8 t0 -50.87 145.13 7.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.875 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.882 -179.991 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.836 0.35 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -136.14 25.65 3.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 -179.968 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.59 142.62 33.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.985 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -98.17 -68.56 0.8 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.928 179.95 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -51.3 -40.71 59.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.594 179.912 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . 1.065 ' CD2' HD11 ' A' ' 34' ' ' LEU . 0.4 OUTLIER -62.01 -39.43 92.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.741 179.89 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.425 ' HG3' HD11 ' B' ' 10' ' ' ILE . 0.8 OUTLIER -67.28 -29.39 68.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.612 179.798 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -64.91 -47.27 78.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.044 179.423 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.44 -54.75 43.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.348 179.541 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.788 HG21 ' HB3' ' A' ' 34' ' ' LEU . 18.6 pt -60.7 -24.08 30.93 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.4 179.369 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.16 -46.08 90.89 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 178.746 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.579 ' CD2' ' CE1' ' B' ' 13' ' ' HIS . 0.0 OUTLIER -66.21 -33.87 76.73 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 115.762 -0.653 . . . . 0.0 109.686 179.103 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . 0.586 ' O ' HG22 ' B' ' 17' ' ' ILE . 10.1 m-70 -73.55 -18.13 61.11 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.088 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.54 -39.93 30.73 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-O 120.922 0.391 . . . . 0.0 110.612 -179.756 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.78 -25.05 48.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.389 179.305 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.32 -37.92 31.65 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.809 179.716 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.846 HD13 ' O ' ' B' ' 17' ' ' ILE . 0.0 OUTLIER -76.23 -34.74 26.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.88 0.371 . . . . 0.0 110.69 179.831 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -78.5 -27.82 46.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.898 0.38 . . . . 0.0 110.888 179.785 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 15.2 ttt85 -80.24 -34.66 36.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.36 -179.828 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.543 ' O ' HG22 ' B' ' 24' ' ' ILE . 90.9 mt -79.49 -27.07 41.5 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 110.097 -0.335 . . . . 0.0 110.097 -179.974 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.446 ' HB2' HG13 ' A' ' 24' ' ' ILE . 0.6 OUTLIER -74.53 -39.0 62.63 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 178.662 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 19.9 ttpt -61.9 -46.74 88.05 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.107 179.363 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.26 -51.53 69.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.533 179.576 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.688 HD13 ' O ' ' B' ' 24' ' ' ILE . 0.0 OUTLIER -64.93 -18.87 24.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.935 179.581 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -71.1 -39.58 72.01 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 178.997 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 19.4 mtp180 -66.06 -48.8 69.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.327 179.278 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . 0.827 ' O ' HG22 ' B' ' 31' ' ' ILE . 3.0 m-70 -66.68 -24.0 66.21 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.215 179.24 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.472 ' HA ' ' CG2' ' B' ' 31' ' ' ILE . 0.7 OUTLIER -78.04 -24.86 47.63 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.099 179.933 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -78.55 -37.93 41.65 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.53 179.722 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.34 -42.71 61.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.794 179.622 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.827 HG22 ' O ' ' B' ' 27' ' ' HIS . 4.3 tp -73.5 -30.96 31.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.839 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . 0.427 ' CB ' ' O ' ' B' ' 28' ' ' LYS . 3.5 ttpm? -79.52 -23.57 42.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.439 179.366 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 4.1 ttmt -75.58 -40.15 57.01 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.992 179.979 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 1.061 HD11 ' CD2' ' A' ' 6' ' ' HIS . 0.1 OUTLIER -77.86 -30.72 51.07 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.903 0.382 . . . . 0.0 110.448 179.708 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 9.7 ttmt -76.7 -29.42 56.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.671 179.703 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . 0.418 ' O ' ' CA ' ' B' ' 40' ' ' ASP . 73.0 mt-30 -85.29 -28.42 25.31 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.61 179.792 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 22.2 m -84.11 -24.93 30.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.687 179.684 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -81.27 -25.65 36.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.77 179.811 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -140.85 36.71 1.78 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.011 -179.939 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . 0.418 ' CA ' ' O ' ' B' ' 36' ' ' GLN . 1.8 t0 -50.84 145.21 7.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.915 179.998 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.249 -0.881 . . . . 0.0 110.914 179.988 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.841 0.353 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.644 ' N ' HD12 ' A' ' 2' ' ' LEU . 4.1 mp -83.67 153.2 24.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 -179.984 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.07 25.05 11.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.965 179.95 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.8 mtmt -80.24 -34.96 36.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.843 179.921 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -57.62 -23.7 52.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.974 179.956 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -67.04 -54.81 18.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.968 -179.99 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.405 ' O ' HG12 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -60.09 -25.4 65.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.865 -179.938 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -71.4 -47.51 55.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.565 179.744 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.488 ' HG3' ' CE1' ' A' ' 13' ' ' HIS . 4.2 tp10 -60.57 -41.96 95.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.742 179.736 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.539 HG22 HD13 ' B' ' 34' ' ' LEU . 11.2 pt -70.89 -24.83 25.08 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 CA-C-O 120.898 0.38 . . . . 0.0 110.543 179.534 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.8 t -64.78 -40.63 95.56 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.126 0.489 . . . . 0.0 109.748 178.79 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -72.18 -33.48 67.71 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.159 179.42 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.915 ' O ' HG23 ' A' ' 17' ' ' ILE . 8.9 m-70 -67.89 -30.4 69.75 Favored 'General case' 0 C--O 1.224 -0.241 0 C-N-CA 121.029 -0.269 . . . . 0.0 110.573 179.363 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.4 -53.36 19.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.837 0.351 . . . . 0.0 110.265 -179.774 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.57 -21.65 66.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.104 178.813 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.687 ' O ' HD23 ' A' ' 20' ' ' LEU . 2.5 mm-40 -74.86 -42.44 57.9 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.082 179.759 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.972 HG22 ' HB3' ' B' ' 27' ' ' HIS . 0.7 OUTLIER -67.84 -40.83 84.3 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 CA-C-O 120.91 0.386 . . . . 0.0 110.528 -179.994 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -70.62 -26.79 63.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.777 179.582 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.8 mtp85 -75.91 -34.92 59.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.017 -179.96 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.687 HD23 ' O ' ' A' ' 16' ' ' GLU . 3.5 mm? -70.86 -36.38 72.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.865 0.364 . . . . 0.0 110.374 179.722 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.654 ' HB2' HD12 ' B' ' 24' ' ' ILE . 0.0 OUTLIER -67.17 -45.86 75.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.506 179.466 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -32.42 72.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.428 179.619 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -65.64 -48.99 70.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.704 179.879 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.672 HD12 ' HB2' ' B' ' 21' ' ' GLN . 5.7 tt -64.05 -23.01 32.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.715 0.293 . . . . 0.0 110.545 179.425 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -68.03 -48.86 64.5 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.38 179.584 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.0 -36.8 84.27 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.572 179.646 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.961 ' HB3' HG22 ' B' ' 17' ' ' ILE . 0.2 OUTLIER -73.58 -22.33 60.08 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.337 179.417 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.464 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 0.2 OUTLIER -76.11 -32.45 59.19 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.584 179.765 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.64 -41.43 65.5 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.425 179.595 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.57 -41.99 78.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.246 179.917 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.816 HG22 ' O ' ' A' ' 27' ' ' HIS . 4.2 tp -73.04 -27.55 24.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.089 -179.761 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.433 ' HE3' ' CE ' ' A' ' 28' ' ' LYS . 10.8 mttt -80.19 -22.73 41.58 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.783 179.624 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.7 mmtt -80.68 -40.48 25.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.444 -179.779 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.529 HD13 HG22 ' B' ' 10' ' ' ILE . 8.0 mt -81.61 -24.85 36.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.857 0.361 . . . . 0.0 110.558 179.794 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.3 ttmm -83.99 -27.01 28.72 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.494 179.459 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.408 ' CG ' ' O ' ' A' ' 32' ' ' LYS . 29.0 mt-30 -81.83 -33.9 30.49 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.663 179.642 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.15 -28.99 57.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.825 179.824 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.08 -28.81 60.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.805 179.913 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -71.46 -27.25 63.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.838 -179.977 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 68.67 178.59 0.25 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.955 -179.986 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.258 -0.877 . . . . 0.0 110.943 179.985 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.81 0.338 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . 0.65 ' N ' HD12 ' B' ' 2' ' ' LEU . 4.1 mp -83.51 153.25 24.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.947 179.975 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.11 24.98 11.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.009 179.908 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 2.8 mtmt -80.18 -35.11 36.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.818 179.961 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -57.47 -23.69 51.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.974 179.971 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -67.09 -55.02 16.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.945 -179.927 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.405 ' O ' HG12 ' B' ' 10' ' ' ILE . 0.0 OUTLIER -59.78 -25.53 64.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.924 179.976 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -71.33 -47.67 55.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.518 179.774 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.492 ' HG3' ' CE1' ' B' ' 13' ' ' HIS . 4.2 tp10 -60.46 -41.89 95.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.667 179.801 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.529 HG22 HD13 ' A' ' 34' ' ' LEU . 11.2 pt -71.01 -24.83 24.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 CA-C-O 120.909 0.385 . . . . 0.0 110.471 179.623 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 1.8 t -64.79 -40.26 94.95 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 178.864 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -72.59 -33.26 66.6 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.09 179.444 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . 0.923 ' O ' HG23 ' B' ' 17' ' ' ILE . 9.0 m-70 -68.12 -30.14 69.22 Favored 'General case' 0 C--O 1.225 -0.212 0 C-N-CA 120.978 -0.289 . . . . 0.0 110.616 179.429 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.406 ' O ' HG13 ' B' ' 17' ' ' ILE . . . -69.98 -53.27 18.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.788 0.328 . . . . 0.0 110.231 -179.866 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.42 -22.1 66.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.162 178.823 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.667 ' O ' HD23 ' B' ' 20' ' ' LEU . 2.4 mm-40 -74.33 -43.06 58.27 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.064 179.793 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.961 HG22 ' HB3' ' A' ' 27' ' ' HIS . 0.7 OUTLIER -67.35 -40.93 85.76 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 CA-C-O 120.817 0.342 . . . . 0.0 110.57 -179.994 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -70.33 -26.64 63.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.785 179.598 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 12.2 mtp85 -76.11 -34.77 59.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.076 -179.986 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.667 HD23 ' O ' ' B' ' 16' ' ' GLU . 3.5 mm? -71.02 -36.07 72.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.883 0.373 . . . . 0.0 110.38 179.776 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.672 ' HB2' HD12 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -67.4 -45.73 75.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.474 179.524 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.07 -32.23 72.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.375 179.594 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -65.49 -49.27 69.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.739 179.802 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.654 HD12 ' HB2' ' A' ' 21' ' ' GLN . 5.6 tt -64.09 -23.28 32.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.699 0.285 . . . . 0.0 110.431 179.539 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -67.48 -48.62 66.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.94 0.4 . . . . 0.0 110.408 179.466 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.34 -36.43 82.9 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.551 179.593 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . 0.972 ' HB3' HG22 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -74.31 -20.99 59.92 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.317 179.438 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.477 ' HA ' ' CG2' ' B' ' 31' ' ' ILE . 0.2 OUTLIER -77.54 -32.69 54.1 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.491 179.706 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.44 -42.41 65.07 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.3 179.577 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.35 -43.9 80.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.001 179.816 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.799 HG22 ' O ' ' B' ' 27' ' ' HIS . 4.8 tp -70.79 -28.15 32.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.382 -179.776 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . 0.426 ' HE3' ' CE ' ' B' ' 28' ' ' LYS . 11.0 mttt -79.97 -22.28 42.76 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.932 179.74 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 3.8 mmtt -81.0 -39.88 25.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.451 -179.732 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.539 HD13 HG22 ' A' ' 10' ' ' ILE . 8.3 mt -82.09 -24.86 34.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.86 0.362 . . . . 0.0 110.529 179.805 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 1.3 ttmm -83.93 -27.34 28.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.429 179.474 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . 0.42 ' CG ' ' O ' ' B' ' 32' ' ' LYS . 29.1 mt-30 -81.57 -34.23 31.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.571 179.72 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.84 -29.09 58.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.801 179.856 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.17 -28.75 60.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.755 -179.993 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -71.44 -27.35 63.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 179.985 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 68.83 178.51 0.25 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 179.88 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.272 -0.871 . . . . 0.0 110.934 179.995 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.303 0 CA-C-O 120.859 0.362 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -134.06 88.45 2.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.946 179.984 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.29 -79.22 0.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.982 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.413 ' O ' ' CG ' ' A' ' 7' ' ' GLU . 0.0 OUTLIER 76.81 -79.12 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.022 179.951 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -46.9 -29.38 1.98 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.988 0.423 . . . . 0.0 110.761 179.927 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.57 ' C ' HD12 ' A' ' 10' ' ' ILE . 0.1 OUTLIER -68.58 -49.39 59.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.478 179.629 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.413 ' CG ' ' O ' ' A' ' 4' ' ' LYS . 0.3 OUTLIER -58.52 -22.82 56.52 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.558 179.422 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -71.74 -59.59 2.67 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.507 179.671 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.463 ' O ' ' CD2' ' A' ' 13' ' ' HIS . 1.4 mt-10 -71.51 -8.65 55.25 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.735 178.852 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.588 ' O ' HD11 ' B' ' 31' ' ' ILE . 51.4 mt -90.79 -29.5 4.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.044 179.932 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.5 p -79.53 -31.1 42.05 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 179.008 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.514 ' CD2' ' ND1' ' A' ' 13' ' ' HIS . 0.5 OUTLIER -76.84 -49.33 16.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.741 179.384 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.915 ' O ' HG23 ' A' ' 17' ' ' ILE . 12.8 m-70 -65.22 -27.02 68.39 Favored 'General case' 0 CA--C 1.519 -0.231 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.06 179.006 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.456 ' HB2' ' O ' ' A' ' 10' ' ' ILE . . . -66.44 -50.34 63.69 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.717 -179.811 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.03 -27.57 68.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.998 0.428 . . . . 0.0 110.297 179.469 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.509 ' CB ' ' CE1' ' B' ' 27' ' ' HIS . 0.1 OUTLIER -70.3 -41.55 73.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.292 -179.886 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.952 HG22 ' HB3' ' B' ' 27' ' ' HIS . 1.0 OUTLIER -67.55 -36.66 76.93 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-O 121.05 0.452 . . . . 0.0 110.671 -179.769 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.413 ' N ' HG13 ' A' ' 17' ' ' ILE . 6.5 mm-40 -69.86 -28.94 66.07 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.563 179.529 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.46 -42.85 67.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.581 -179.688 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.766 ' O ' HG22 ' A' ' 24' ' ' ILE . 3.4 mm? -73.43 -28.5 62.01 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 120.736 0.303 . . . . 0.0 110.55 -179.755 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.441 ' HA ' ' CG2' ' A' ' 24' ' ' ILE . 1.0 OUTLIER -75.16 -27.82 59.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.473 179.338 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.62 -32.16 53.27 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.015 179.446 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.427 ' CB ' ' HG ' ' B' ' 20' ' ' LEU . 3.3 mm-40 -71.69 -46.41 58.88 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.592 179.472 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.914 ' O ' HD12 ' A' ' 24' ' ' ILE . 0.1 OUTLIER -62.9 -36.69 76.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.941 0.401 . . . . 0.0 110.023 179.325 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -62.51 -47.56 83.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.32 179.676 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -64.82 -36.67 85.08 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 120.881 0.372 . . . . 0.0 111.472 -179.521 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.936 ' HB3' HG22 ' B' ' 17' ' ' ILE . 0.2 OUTLIER -74.43 -22.57 59.07 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.713 -179.985 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.45 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 7.1 ttmt -76.6 -32.53 58.16 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.434 179.62 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -72.63 -40.41 66.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.58 179.597 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 92.6 p -70.51 -40.83 73.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.276 -179.969 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.759 HG22 ' O ' ' A' ' 27' ' ' HIS . 5.7 tp -74.82 -25.24 18.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.914 -179.966 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.1 ttpt -79.41 -31.76 42.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.654 179.716 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.7 mttt -74.83 -36.55 62.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.643 179.756 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.1 mt -73.28 -38.01 66.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.825 179.787 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.5 ttmm -74.08 -30.84 62.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.812 179.9 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -74.64 -31.22 61.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.79 179.86 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.22 -27.19 64.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.757 179.905 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -67.98 -30.18 69.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.913 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -82.36 -25.54 33.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.858 179.965 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 70.02 135.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.947 -179.969 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.228 -0.891 . . . . 0.0 110.881 179.961 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.825 0.345 . . . . 0.0 111.089 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -134.02 88.42 2.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.947 179.935 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.08 -79.23 0.54 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.963 179.952 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . 0.417 ' O ' ' CG ' ' B' ' 7' ' ' GLU . 0.0 OUTLIER 76.75 -79.09 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.035 179.956 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -46.93 -29.32 1.97 Allowed 'General case' 0 C--O 1.233 0.185 0 CA-C-O 121.02 0.438 . . . . 0.0 110.771 179.902 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . 0.555 ' C ' HD12 ' B' ' 10' ' ' ILE . 0.1 OUTLIER -68.66 -49.27 60.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.524 179.547 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.417 ' CG ' ' O ' ' B' ' 4' ' ' LYS . 0.3 OUTLIER -58.61 -22.82 57.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.563 179.33 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -71.66 -59.56 2.69 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.46 179.657 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.472 ' O ' ' CD2' ' B' ' 13' ' ' HIS . 1.4 mt-10 -71.83 -8.31 53.52 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.669 178.92 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.572 ' O ' HD11 ' A' ' 31' ' ' ILE . 51.9 mt -91.07 -29.44 4.79 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.048 179.872 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 8.5 p -79.73 -31.33 41.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.609 179.005 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.522 ' CD2' ' ND1' ' B' ' 13' ' ' HIS . 0.5 OUTLIER -76.55 -49.89 15.29 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.638 179.213 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . 0.956 ' O ' HG23 ' B' ' 17' ' ' ILE . 12.2 m-70 -64.36 -27.57 69.1 Favored 'General case' 0 C--O 1.223 -0.32 0 C-N-CA 120.631 -0.428 . . . . 0.0 109.966 178.927 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.461 ' HB2' ' O ' ' B' ' 10' ' ' ILE . . . -65.57 -50.77 63.91 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.952 -179.803 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.98 -27.95 69.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.04 0.448 . . . . 0.0 110.372 179.612 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.54 ' O ' HD23 ' B' ' 20' ' ' LEU . 0.2 OUTLIER -70.38 -40.73 73.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.414 -179.914 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.956 HG23 ' O ' ' B' ' 13' ' ' HIS . 1.0 OUTLIER -68.24 -35.67 72.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.849 0.357 . . . . 0.0 110.883 -179.472 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.426 ' N ' HG13 ' B' ' 17' ' ' ILE . 6.3 mm-40 -71.16 -29.2 64.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.607 179.675 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.52 -42.45 71.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.377 -179.852 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.54 HD23 ' O ' ' B' ' 16' ' ' GLU . 3.2 mm? -71.34 -31.45 67.39 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.818 0.342 . . . . 0.0 110.851 -179.731 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.444 ' CG ' HG12 ' A' ' 24' ' ' ILE . 1.1 tt0 -73.58 -32.39 64.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.584 179.832 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.73 -31.72 63.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.459 179.664 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -71.52 -46.05 60.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.043 -179.982 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.898 HD13 ' O ' ' B' ' 24' ' ' ILE . 0.0 OUTLIER -67.73 -30.44 48.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.487 179.818 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -65.02 -43.78 91.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.395 179.513 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -68.17 -36.13 79.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.764 179.781 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . 0.952 ' HB3' HG22 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -74.95 -20.57 59.62 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.695 179.693 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.461 ' HA ' ' CG2' ' B' ' 31' ' ' ILE . 6.6 ttmt -78.74 -33.87 46.24 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.906 0.384 . . . . 0.0 110.425 179.625 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -71.5 -40.44 70.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.473 179.49 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 88.2 p -69.71 -43.73 71.78 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.989 179.798 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.767 HG22 ' O ' ' B' ' 27' ' ' HIS . 6.1 tp -72.1 -24.31 22.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.192 179.988 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 24.9 ttpt -80.61 -31.96 36.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.759 179.834 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 18.1 mttt -74.89 -35.64 62.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.648 179.807 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.1 mt -73.83 -38.59 64.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.752 179.833 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 6.5 ttmm -73.81 -30.59 62.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.771 179.948 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -74.71 -31.81 61.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.802 179.857 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.68 -27.21 64.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.829 179.872 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -67.92 -30.08 69.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 179.875 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -82.36 -25.51 33.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.969 179.928 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 70.04 135.36 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.939 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.215 -0.898 . . . . 0.0 110.911 179.994 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.486 ' HB3' HD12 ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.855 0.36 . . . . 0.0 111.08 . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.62 HD21 ' OD1' ' B' ' 39' ' ' ASP . 0.3 OUTLIER -148.16 -166.56 2.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.939 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 20.1 mtmm -50.5 141.92 11.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.407 ' O ' ' HG2' ' A' ' 7' ' ' GLU . 0.6 OUTLIER -91.85 -25.01 19.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.985 179.966 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 -78.76 -38.94 37.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.681 179.73 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -72.38 -36.32 68.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.874 179.86 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 22.9 pt-20 -69.52 -35.69 75.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.444 179.715 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -64.12 -45.42 88.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.201 179.536 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -59.72 -50.79 72.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.308 179.514 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.685 ' CG2' HD23 ' B' ' 34' ' ' LEU . 12.5 pt -70.01 -11.58 15.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.623 179.007 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.68 -38.97 67.43 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 178.092 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.449 ' CE1' ' OE2' ' A' ' 16' ' ' GLU . 0.2 OUTLIER -73.36 -41.17 63.75 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 115.492 -0.777 . . . . 0.0 109.698 178.792 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.732 ' HB2' HD13 ' B' ' 31' ' ' ILE . 10.0 m-70 -62.33 -32.43 73.19 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-O 120.647 0.261 . . . . 0.0 110.442 179.257 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.27 -54.4 29.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.105 -179.999 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.16 -21.4 59.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.319 178.959 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.479 ' HB3' ' CE1' ' B' ' 27' ' ' HIS . 0.1 OUTLIER -76.88 -42.82 38.33 Favored 'General case' 0 CA--C 1.527 0.091 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.333 -179.933 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.933 HG22 ' HB3' ' B' ' 27' ' ' HIS . 1.1 pp -71.07 -27.78 30.9 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 CA-C-O 120.905 0.383 . . . . 0.0 110.888 -179.83 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.59 -38.98 58.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.363 179.591 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 43.2 ttt-85 -65.57 -45.46 83.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.409 179.532 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.749 HD12 HG22 ' B' ' 24' ' ' ILE . 0.0 OUTLIER -61.46 -43.62 98.54 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.901 179.295 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.831 ' HG3' HD13 ' B' ' 24' ' ' ILE . 19.4 mt-30 -60.57 -31.58 70.71 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.583 179.589 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.09 -45.36 89.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.429 179.738 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -47.59 85.3 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.859 179.739 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.816 HD13 ' HG3' ' B' ' 21' ' ' GLN . 0.5 OUTLIER -58.36 -36.18 57.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 179.762 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -61.49 -40.35 94.27 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.317 179.612 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -56.44 -47.15 79.72 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.762 179.277 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.961 ' HB3' HG22 ' B' ' 17' ' ' ILE . 0.2 OUTLIER -66.33 -26.15 67.16 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.629 178.727 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.509 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 6.0 ttmt -72.04 -26.72 62.3 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.894 179.877 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -75.1 -44.27 48.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.433 179.857 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.06 -42.0 90.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.158 179.889 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.798 HG22 ' O ' ' A' ' 27' ' ' HIS . 3.8 tp -71.75 -32.15 44.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.94 -179.87 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.426 ' O ' ' CB ' ' A' ' 36' ' ' GLN . 25.0 mmtp -76.6 -20.47 56.74 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.075 179.892 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -83.54 -38.18 22.06 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.458 -179.632 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.691 HD23 ' CG2' ' B' ' 10' ' ' ILE . 45.2 tp -84.47 -22.39 30.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.771 0.32 . . . . 0.0 110.602 179.868 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 27.7 ttmt -89.06 -27.24 20.94 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.356 179.289 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.426 ' CB ' ' O ' ' A' ' 32' ' ' LYS . 10.2 tt0 -83.09 -32.09 26.94 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.508 179.461 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 21.6 p -75.7 -25.7 56.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.75 179.68 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.554 ' OE1' HD22 ' B' ' 2' ' ' LEU . 2.1 tt0 -74.0 -29.44 61.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.899 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.628 ' OD1' HD21 ' B' ' 2' ' ' LEU . 4.4 t70 -145.09 44.32 1.33 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 36' ' ' GLN . 3.2 t70 -50.65 143.55 9.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.996 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.898 179.995 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . 0.465 ' HB3' HD12 ' B' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.808 0.337 . . . . 0.0 111.063 . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . 0.628 HD21 ' OD1' ' A' ' 39' ' ' ASP . 0.3 OUTLIER -148.1 -166.65 2.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.857 -179.951 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 20.0 mtmm -50.45 141.95 11.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.945 179.906 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . 0.402 ' O ' ' HG2' ' B' ' 7' ' ' GLU . 0.6 OUTLIER -91.93 -25.03 19.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.932 -179.98 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 -78.77 -38.92 37.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.637 179.801 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -72.42 -36.32 68.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.778 179.932 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.402 ' HG2' ' O ' ' B' ' 4' ' ' LYS . 22.9 pt-20 -69.63 -35.6 75.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.475 179.77 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -64.07 -45.44 88.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.289 179.413 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -59.72 -50.82 72.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.315 179.52 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.691 ' CG2' HD23 ' A' ' 34' ' ' LEU . 12.4 pt -70.0 -11.64 15.15 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.659 178.999 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.59 -39.05 67.66 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 178.104 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.448 ' CE1' ' OE1' ' B' ' 16' ' ' GLU . 0.2 OUTLIER -73.27 -41.26 63.86 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.67 178.833 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . 0.739 ' O ' HG23 ' B' ' 17' ' ' ILE . 10.0 m-70 -62.21 -32.29 72.93 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.399 179.274 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.27 -54.63 26.37 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.205 179.987 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.9 -21.68 58.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.38 178.938 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.483 ' HB3' ' CE1' ' A' ' 27' ' ' HIS . 0.1 OUTLIER -76.71 -42.81 40.02 Favored 'General case' 0 CA--C 1.527 0.081 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.324 -179.891 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.961 HG22 ' HB3' ' A' ' 27' ' ' HIS . 1.1 pp -70.86 -27.9 31.92 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.169 0 CA-C-O 120.937 0.399 . . . . 0.0 110.882 -179.747 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.36 -39.21 59.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.388 179.672 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 42.0 ttt-85 -66.08 -44.01 85.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.493 179.638 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.731 HD12 HG22 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -64.06 -36.99 85.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.121 179.559 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.816 ' HG3' HD13 ' A' ' 24' ' ' ILE . 17.9 mt-30 -67.38 -29.53 69.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.384 179.278 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.74 -46.24 79.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.416 179.63 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.63 -46.91 87.57 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.745 179.71 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.831 HD13 ' HG3' ' A' ' 21' ' ' GLN . 0.5 OUTLIER -58.5 -37.5 64.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 179.595 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -60.8 -40.17 91.67 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.358 179.609 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -56.47 -47.32 79.45 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 121.175 0.512 . . . . 0.0 109.759 179.324 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . 0.933 ' HB3' HG22 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -66.26 -26.02 67.15 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.62 178.783 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.503 ' HA ' ' CG2' ' B' ' 31' ' ' ILE . 6.1 ttmt -72.31 -26.62 62.02 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.887 179.844 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -75.06 -44.3 48.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.498 179.761 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.89 -42.25 90.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.087 179.863 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.787 HG22 ' O ' ' B' ' 27' ' ' HIS . 3.8 tp -71.31 -32.53 47.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.037 -179.947 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . 0.421 ' O ' ' CB ' ' B' ' 36' ' ' GLN . 25.0 mmtp -76.19 -20.56 57.38 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.073 179.94 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -83.47 -38.24 22.09 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.483 -179.643 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.685 HD23 ' CG2' ' A' ' 10' ' ' ILE . 45.8 tp -84.49 -22.18 30.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.77 0.319 . . . . 0.0 110.664 179.808 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 27.6 ttmt -89.14 -27.23 20.86 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.356 179.241 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . 0.421 ' CB ' ' O ' ' B' ' 32' ' ' LYS . 10.1 tt0 -83.11 -32.24 26.83 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.387 179.511 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 21.3 p -75.67 -25.53 56.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.71 179.769 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . 0.565 ' OE1' HD22 ' A' ' 2' ' ' LEU . 2.1 tt0 -74.09 -29.62 61.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.795 179.939 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . 0.62 ' OD1' HD21 ' A' ' 2' ' ' LEU . 4.4 t70 -144.93 44.36 1.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.844 -179.949 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . 0.419 ' N ' ' O ' ' B' ' 36' ' ' GLN . 3.2 t70 -50.74 143.6 9.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.986 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.274 -0.87 . . . . 0.0 110.903 179.973 . . . . . . . . 1 1 . 1 stop_ save_